Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc. Copyright © 2011 All Rights Reserved Collaborative Drug Discovery Barry Bunin, Ph.D. CEO and President Collaborative Drug Discovery, Burlingame, CA. A Web-Based Collaborative Drug Discovery Platform

Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc.

Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc.

Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc. Public and proprietary data sources Knowledge-Based Drug Discovery Knowledge Base Virtual Libraries Actual Libraries Selection / Optimization QSAR Models Other Models results SAR Chemistry

Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc.

Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc. CDD History

Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc. Users: 21,197 unique logins last year (scalable in the cloud) Interoperability/Standards: csv/SMILES, sdfiles, PubMed, ChemSpider-Pubchem, REST Based Architecture for APIs Employing technology to facilitate partnerships: both pre- and post-IP agreements supported Expanding the precompetitive space: the key is supporting traditional (IP sensitive), collaborative (pre-IP), and open (post-IP) – all these are real use cases Copyright © 2011 All Rights Reserved Collaborative Drug Discovery CDD for Private, Collaborative, & Public Research

Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc.

Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc. CDD Vault for Your Own Private Data Copyright © 2009 All Rights Reserved Collaborative Drug Discovery

Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc. Data Partitioning for Multiple Collaborations Copyright © 2009 All Rights Reserved Collaborative Drug Discovery

Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc. Copyright © 2011 All Rights Reserved Collaborative Drug Discovery Collaborative Capabilities for Efficient International Drug Discovery Individual Pain PointsOrganizational NeedTechnical Solution Keep scientist’s data private until ready to share (i.e. with the rest of their groups) Collaboration is as much about more efficient work within a single organization as between organizations. Temporal data access controls Allow scientists to partition or sequester data to enable selective data sharing Control of chemical or biological data access based on Project-specific permissions Spatial data partitioning Allow collaboration in scientist’s natural workflow (i.e. without uploading data multiple times in multiple places) Control based on type of data – especially given a marketplace with specialization in synthesis, screening, discovery, development Sequester by data classification

Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc. Back Pocket © 2009 Collaborative Drug Discovery, Inc.

Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc. User Roles and Privileges in CDD

Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc. CDD Convenient Mining & Export Options

Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc. CDD Configurable IC50 Dose Response Capabilities

Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc. Data Mining

Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc. CDD database system Web based (log in securely into to your database from any computer). We host the server for you Highly secure, all traffic encrypted, server in a secure professionally hosted environment. Secure and Low TCO (Total Cost of Ownership) Copyright © 2009 All Rights Reserved Collaborative Drug Discovery

Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc. CDD Drug Repurposing 2009 Case Study #1 Result New leads reveal known drugs that reverse chloroquine resistance

Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc.  3 Academia/ Govt lab – Industry screening partnerships  CDD used for data sharing / collaboration CDD BMGF TB PPP: Case Study #2

Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc. CDD 2011 EU PPP Case Study #3

Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc. Network –Traction: thousands of leading researchers log into CDD today: –Academic customers: Harvard, Columbia, Johns Hopkins, UCSF (new assays) –Pharmas relationships: Pfizer, GSK, Novartis, Lilly (commercial partners) –Startups –Research institutes, Non profits NIH, BMGF, MM4TB etc Neutral –Trusted for >7 years in the cloud –Moral high-ground due to years dedicated to neglected disease (TB w/ Gates Foundation) –Credible position IP –CDD handles data corresponding to composition of matter & utility patents –Templates for rapid web-based transactions (IP corresponding to data) –CDD does not own IP Why CDD?

Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc. Major collaborative grants in EU: Framework, IMI …NIH moving in same direction Cross continent collaboration CROs in China, India etc – Pharma’s in US / Europe More industry – academia collaboration ‘not invented here’ a thing of the past More effort to go after rare and neglected diseases -Globalization and connectivity of scientists will be key – Current pace of change in pharma may not be enough. Need to rethink how we use all technologies & resources… Collaboration is everywhere

Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc. Models and software becoming more accessible- free, precompetitive efforts - collaboration

Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc. Drug Toxicity Alerts

Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc. 1. Spend only 20% on descriptors and algorithms 2. Selectively share your models with collaborators and control access 3. Have someone else host the models / predictions What if you could… Copyright © 2009 All Rights Reserved Collaborative Drug Discovery Inside company Collaborators Current investments >$1M/yr >$10-100’s M/yr

Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc. Yes we can…predictions now can be shared without revealing structures!

Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc. CDD SBIR to Selectively Share Predictive Models Across Industry and Academia

Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc. The ability to profile any external drug candidates where others have invested substantial resource, with little to no work from Big Pharma using ADME/Tox models, to pick and choose and prioritize the most interesting projects for in licensing. P.S. NIH could fund the automation, streamlining, and scaling the approach once proven successful (and Big Pharma would benefit without having the cost of development). The benefit to Big Pharma

Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc. Capabilities to selectively collaborate from an “IP-neutral” party Selective sharing and data partitioning are needed. Web2.0 informatics collaborative “processes” matter. The infrastructure capabilities determine what is possible and practical. CDD capabilities support diverse PDP and PPPs. –Proven in more effective collaborations Copyright © 2011 All Rights Reserved Collaborative Drug Discovery CDD support of international collaborations

Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc. What is implemented in software guides common business rules and creates efficiencies. CDD has lowered the barriers to archive and collaborate – instead of frustration after deciding what “makes sense”, collaboration occurs naturally and instantaneously. Collaborative informatics provides cohesiveness when scaling collaborative efforts. Unique collaborative technologies allow groups with diverse IP/data requirements to work together, as if one. Copyright © 2011 All Rights Reserved Collaborative Drug Discovery Summary

Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc. “CDD makes the distinction between pre-competitive, competitive, and non-competitive drug discovery...irrelevant.” Copyright © 2011 All Rights Reserved Collaborative Drug Discovery Take Home Barry Bunin, Ph.D. CEO and President Collaborative Drug Discovery, Burlingame, CA.