My presentation for the Drug Repurposing workshop at the upcoming Bio-IT World Expo.
PubChem has a wealth of chemical structure and biological activity information. In conjunction with NCBI’s other resources such as PubMed and GenBank, PubChem is a vast source of information relevant to repurposing not only of established drugs but any compounds with in vivo pharmacology and/or clinical results. The challenge is how to take advantage of this knowledge. The ability to explore not only chemical similarity but relationships between diseases and disease targets has crucial value in repurposing. While focused investigations are already possible within the existing Entrez system, navigation across these linked information spaces can be difficult to do on a large scale with current tools. We are actively developing new infrastructure to support such analyses, and pursuing new methods of exploring inter- and intra-database relationships between chemicals, targets, diseases, and patents. Progress and some future direction in these areas will be presented.