Transcript - Figshare

An Example of a Lean Startup: The Past,
Present and Future
of the Open Drug Discovery Teams Mobile App
Sean Ekins1, Alex M. Clark2
1 Collaborations
in Chemistry, 5616 Hilltop Needmore
Road, Fuquay Varina, NC 27526, U.S.A.
2 Molecular Materials Informatics, 1900 St. Jacques #302,
Montreal, Quebec, Canada H3J 2S1.
April 2013
http://goo.gl/XKa6w
© 2012-2013 Molecular Materials Informatics, Inc.
and Collaborations in Chemistry
1
Timeline
Feb 2012 – ODDT idea to prototype presented at Pistoia
Alliance meeting in London
April 2012 – App Launched and presented at Pistoia
Alliance meeting in Boston
July 2012- IndieGoGo Crowdfunding
Aug 2012- ODDT paper published
Oct 2012- Tweeted NCATS compound structures
March 2013 – RSC Sponsors App
http://goo.gl/XKa6w
In the
Beginning…The Past
http://goo.gl/XKa6w
When Given a New Challenge How
do You Respond?
• Mid January 2012 Pistoia Alliance Ask for
volunteers to present in a Dragon’s Den
Scenario Feb 8th at the RSC
• Ideas that will transform Pharma R&D in 2014
• So my natural response was :
“If I am going to take part I want to create
something real”
http://goo.gl/XKa6w
Why it is time to transform R&D –
This is just one disease!
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Tuberculosis Kills 1.6-1.7m/yr (~1 every 8 seconds) equivalent to malaria
1/3rd of worlds population infected!!!!
Extensively drug resistant increasing incidence
No new drugs in over 40 yrs
Drug-drug interactions and Cc-morbidity with HIV
• Recent years have seen increased investment from Bill and Melinda Gates
Foundation (BMGF) etc.
• But no impact on new clinical candidates except from pharma
• Pipeline is thin and weak
• No data sharing on the scale of malaria
• Open Source effort in India (OSDD) but no real international traction
• Disconnected efforts - CDD, Pharmas, Academia, NIH
• BMGF & NIH do not coordinate TB efforts, not mandating open data.
– Result data hoarding – still not learning from failure – thousands of compounds
screened and not accessible
http://goo.gl/XKa6w
Motivation
• Early 2012: Sean Ekins met Jill Wood at a rare disease
conference
• Mother of a child suffering from Sanfillipo Syndrome
- Incidence rate: 1 in ≫100,000
• She had to become a scientist, doctor, entrepreneur and
venture capitalist to accelerate a cure
Jonah's Just Begun
Phoenix Nest Biotech
phoenixnestbiotech.com
• Finding information shouldn't be so hard...
http://goo.gl/XKa6w
The Problem
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Drug discovery research is very
asymmetric
Diseases with many wealthy sufferers
get most of the attention: great return on
investment
>7000 rare diseases
• Rare diseases? Neglected markets?
• Resources are extremely tight
• Cannot afford not to share research
http://goo.gl/XKa6w
Inspiration
• There are many 1000s of diseases
and few with cures
• Science Online 2012 on open notebooks and
data overload
• Flipboard
• Could we create an app
for science like Flipboard?
http://goo.gl/XKa6w
Why not create an app?
• Can we connect researchers and patients?
• Can we create Open Drug Discovery Teams
• How do we bring information on diseases to
the people that need it
• Can we centralize the data that matters?
• Bring social media into rare diseases
http://goo.gl/XKa6w
What influenced design?
• Simple user friendly design concept
• Flipping through topics, big buttons, easy to
see on phone and app
• Crowdsourcing – use feedback to vote on
topics
• Why is there no Flipboard for Science?
http://goo.gl/XKa6w
So I started sketching on my iPad..
http://goo.gl/XKa6w
How would we go about finding
these teams?
http://goo.gl/XKa6w
Can we create virtual teams of open
researchers – we need a central hub to
integrate open science data
http://goo.gl/XKa6w
Everything is on the cloud and the App
becomes the glue for the team and projects
http://goo.gl/XKa6w
How the App should look – note the
Flipboard inspiration
http://goo.gl/XKa6w
Sounding Boards are Very
Important
• Antony J. Williams VP, Strategic
development for ChemSpider at
the Royal Society of Chemistry.
• Alex M. Clark is the founder of
Molecular Materials Informatics,
Inc.
• Alex said he could build the App
http://goo.gl/XKa6w
Within about 10 days Alex Created
ODDT to present at the Pistoia meeting
Focused on Tuberculosis, Malaria, HIV/AIDS, Huntington’s Disease,
Sanfilippo Syndrome, and Green Chemistry as topics in version 1
We did not win the competition but had useful feedback – the need to
articulate the value proposition
http://goo.gl/XKa6w
The Value Proposition
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The project is intended to bring together open data in a single aggregated collection,
and then facilitate forming open research teams around this data
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Disseminate important information to a highly relevant target audience
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Network and discover other researchers with complementary interests, and
opportunities to collaborate
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Team members will be able to borrow and reuse a growing collection of existing
Open data.
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The community as a whole can debate, contest or endorse data based on its quality.
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The app could also be used as a type of “lab notebook” whereby individual
researchers share links (URLs) to content and the app aggregates these.
http://goo.gl/XKa6w
Getting to the Alpha Version
• Added more topics – Chagas Disease,
leishmaniasis
• Added voting
• Added Stats page
• Added datasheet viewing
• ….Find alpha testers
http://goo.gl/XKa6w
2012 ODDT Layout
9 Panels includes one
on ODDT information
Can use multiple
Twitter accounts
Here is my icon
Stats summary
About App
http://goo.gl/XKa6w
In the Beginning.. Summary
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App released on Appstore early April
2012
Ran an IndieGoGo crowdfunding
experiment
Presented at ACS, TriConf, Partnering
for Cures in 2012
Several posters on slideshare and
figshare
Published a paper on ODDT Ekins S,
Clark AM and Williams AJ, Open Drug
Discovery Teams: A Chemistry Mobile
App for Collaboration, Mol
Informatics, 31: 585-597, 2012.
http://www.ncbi.nlm.nih.gov/pmc/ar
ticles/PMC3503260/pdf/minf00310585.pdf
http://goo.gl/XKa6w
Disrupting Drug Discovery
http://goo.gl/XKa6w
Drug Discovery Today, 18: 265-271, 2013
Using ODDT in a Mobile App
workflow
http://goo.gl/XKa6w
Chem-Bio Informatics Journal, 13: 1-18 2013
The Present
Rare and neglected disease and
chemistry Topics – Keeps growing
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Tuberculosis,
Malaria,
Chagas disease,
Leishmaniasis,
HIV/AIDS,
Huntingtons disease,
Sanfilippo syndrome,
Global Genes,
Green Chemistry,
Drug repurposing,
Giant Axonal Neuropathy,
Hunter syndrome,
Real time chemistry,
Hereditary Neuropathy Foundation,
H5N1,
Rare Disease report,
Fibromuscular Dysplasia,
iCancer
ACS Chemical Information
http://goo.gl/XKa6w
#tuberculosis
#malaria
#hivaids
#huntingtons
#sanfilipposyndrome
#rarediseases
#leishmaniasis
#chagas
#h5n1
#greenchemistry
#hhf4gan
#MPSII #huntersyndrome #hunterparents
#realtimechem
#HNF
#raredr
#fmdaware
#icancer
#ACSCINF
What can ODDT do?
• Collects Twitter feeds on hashtags for topics
• Collects RSS feeds on topics
• Allows you to see tweets of molecules and
structure activity data
• If you contribute to a topic you are visible in
the app
• It can track your contributions to topics
• All of the above happens in one App
http://goo.gl/XKa6w
2013 ODDT Layout
Can use multiple
Twitter accounts
user icon
Stats summary
About App
Topic panels
News feed
http://goo.gl/XKa6w
Tap on a panel and look at
Incoming contents
Click here to endorse
or disapprove
Click here to follow
hyperlink
Click on image to
open it
Incoming data is sorted
by time of creation
http://goo.gl/XKa6w
Browse through multiple pages of
tweets
http://goo.gl/XKa6w
Endorse, Disapprove and
Comment
http://goo.gl/XKa6w
Recent contents
Recent
factoids with a
vote count of +1
or better
http://goo.gl/XKa6w
Content
Click on image to
open it
Ranked
content
Content is
currently
anything with a
vote
count of +1 or
better, sorted by
most popular
first
http://goo.gl/XKa6w
Tap on a link or image
http://goo.gl/XKa6w
Be able to download content
http://goo.gl/XKa6w
Look at your own and topic
statistics
Own statistics
http://goo.gl/XKa6w
Topic statistics
How to use the app
• Use it to publish links to your blogs on the topic
• Publish your chemistry, Structure activity data that could
help others
• Use it to raise awareness of a new paper
• Parents / researchers can find out about the disease –
what is current, what has published
• Use it to collaborate openly – an open labnotebook
• You can curate the data – vote on what matters to you
• Share the important findings
• Use it for inspiration that crosses diseases and topics
• Get rare and neglected disease researchers to use green
chemistry.
http://goo.gl/XKa6w
What is needed
• Break down paywalls to papers
– Neglected disease apps could increase visibility of
older content to parent advocates and researchers
• Breaks down walls to data
– Only recent data in PubChem etc..rediscovery of
old drugs published previously for TB..(e.g. PNAS
Gold et al.)
• Find sponsors who promote openness
http://goo.gl/XKa6w
Busting
paywalls
http://goo.gl/XKa6w
Secure
sharing
http://goo.gl/XKa6w
Problems can be opportunities
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Rare diseases have small research communities
Less investment than Cancer, CV etc
Published data inaccessible to parents
But..
Apps existing for symptoms disease mgmt
Tight knit communities
Willing to collaborate
Try different approaches
Approaches generalizable, cheap, disruptive..
http://goo.gl/XKa6w
The Solution Schematic
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government
pharma
charity
funding
Open Drug Discovery Teams
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Twitter
#hashtags
content
aggregation
research
communities
publication
academics
startups
foundations
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literature
blogs
open science
RSS
Feeds
http://goo.gl/XKa6w
Molecules
• ODDT is chemistry aware...opens up a world of possibilities
• ... harvesting chemical data allows many possibilities
http://goo.gl/XKa6w
Chemistry
• ODDT understands links chemical data, and has special
viewing, manipulation and collaboration features for
molecules and reactions
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Other apps such as the Mobile
Molecular DataSheet allow direct
tweeting of chemical data with ODDT
topic hash tags...
http://goo.gl/XKa6w
The Future
Future
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The App becomes a “notebook” for science
Integrate other data sources
PubMed, Google Scholar etc
Add annotation around diseases
Becomes a database of chemistry and biology
data around the diseases that is open
• Link to tools that enable drug discovery by
anyone
• Could we add docking and QSAR models etc.
• Rewards / badges
http://goo.gl/XKa6w
Logical next steps
• ODDT customizable by 7000 diseases
• Imagine each rare disease community as app – with access to
private and public data (DDT)
• Make more data available as apps or publish in apps.
• Reuse data – mash up – find new ways to use- apps facilitate
• e.g. GSK just announced 200 TB cpds to be public - content could be
pushed out in ODDT
• NCATS 58 molecules from Pharmas- no structures – published in
ODDT
• Show examples of drug discovery by mobile device
• Show how hypothesis from one disease can apply elsewhere
• Demonstrate repurposing by app
http://goo.gl/XKa6w
Where to next
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ODDT is an experimental project
Sponsorship:
App is free, data is totally open
Potentially valuable intellectual property
Know of a rare or neglected disease with an online
community?
We can add a new topic
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Know anyone who is interested in sponsoring projects to
increase awareness of rare or neglected diseases?
Contact us!
http://goo.gl/XKa6w
Future Developments
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The Open Drug Discovery Teams project is
currently a minimum viable product
New developments are happening fast, e.g.
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More topics
New data sources
Advanced cheminformatics
Your feedback is welcome. Download the app, try
it out, and get in touch!
http://goo.gl/XKa6w
Data to Appify?
• If you have Drug Discovery data or ideas that
could be turned into an app please let us
know
• Alex Clark has developed these other Apps
http://goo.gl/XKa6w
Availability
• Open Drug Discovery Teams (ODDT) is available
free from the Apple iTunes AppStore
• http://itunes.apple.com/app/oddt/id517000016
• http://molmatinf.com/products.html
http://goo.gl/XKa6w
In the literature
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Ekins S, Clark AM and Williams AJ, Open Drug Discovery Teams: A
Chemistry Mobile App for Collaboration, Mol Informatics, 31: 585-597,
2012.
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3503260/pdf/minf00310585.pdf
Clark AM, Williams AJ and Ekins S, Cheminformatics workflows using
mobile apps, Chem-Bio Informatics Journal, 13: 1-18 2013.
https://www.jstage.jst.go.jp/article/cbij/13/0/13_1/_pdf
Ekins S, Clark AM and Williams AJ, Incorporating Green Chemistry
Concepts into Mobile Applications and their potential uses, ACS Sustain
Chem Eng, 1. 8-13, 2013.http://pubs.acs.org/doi/pdf/10.1021/sc3000509
Ekins S, Waller CL, Bradley MP, Clark AM and Williams AJ, Four
disruptive strategies for removing drug discovery bottlenecks, Drug
Discovery Today, 18: 265-271, 2013.
http://goo.gl/XKa6w
More Information
http://oddt.net
http://molmatinf.com/oddt.html
http://cheminf20.org
http://collabchem.com
@aclarkxyz
@collabchem
http://goo.gl/XKa6w
© 2012 Molecular Materials Informatics, Inc.
and Collaborations in Chemistry
52