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[Sample drug predicted by our server]

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Sister servers

Visit a list of sister servers extending the same methodology of the chemical-protein interactome for drug development and discovery.

Introduction

Background

Identifying the best indications for pipeline drug candidates (drug candidate positioning) and recycling old drugs for new indications (drug repositioning, or repurposing) are now attracting great interests in the pharmaceutical industry and academia due to the high attrition rate of developing a new drug de novo and looking for the right indication. Inspired from our previous server (server link and publication link) on predicting drug repositioning via Chemical-Protein Interactome (CPI), now we made significant changes and improvements to introduce the new DPDR-CPI server for both drug candidate positioning and repurposing.

What can DPDR-CPI do for you?

When you submit a molecule in in MOL/MOL2/PDB/SDF/SMILES format, the server will suggest potential indications with estimated confidence across 963 different disease indications by machine learning models. The server will also suggest putative targets and their docking conformations across 611 pharmacokinetic (PK) and pharmacodynamic (PD) targets. The server can visualize each ligand-protein binding pattern, with amino acid residues around 6.4Å of the ligand highlighted.