ChemProt-3.0: a global chemical biology diseases mapping

Research output: Contribution to journalJournal articleResearchpeer-review


  • Jens Vindahl Kringelum
  • Sonny Kim Kjærulff
  • Brunak, Søren
  • Ole Lund
  • Tudor I. Oprea
  • Olivier Thierry Taboureau

ChemProt is a publicly available compilation of chemical-protein-disease annotation resources that enables the study of systems pharmacology for a small molecule across multiple layers of complexity from molecular to clinical levels. In this third version, ChemProt has been updated to more than 1.7 million compounds with 7.8 million bioactivity measurements for 19 504 proteins. Here, we report the implementation of global pharmacological heatmap, supporting a user-friendly navigation of chemogenomics space. This facilitates the visualization and selection of chemicals that share similar structural properties. In addition, the user has the possibility to search by compound, target, pathway, disease and clinical effect. Genetic variations associated to target proteins were integrated, making it possible to plan pharmacogenetic studies and to suggest human response variability to drug. Finally, Quantitative Structure-Activity Relationship models for 850 proteins having sufficient data were implemented, enabling secondary pharmacological profiling predictions from molecular structure.Database URL:

Original languageEnglish
Article numberbav123
JournalDatabase: The Journal of Biological Databases and Curation
Number of pages7
Publication statusPublished - 2016

Number of downloads are based on statistics from Google Scholar and

No data available

ID: 160132813