Reymond Research Group

University of Bern

Web-based Tools

Target prediction

  • PPB a polypharmacology browser for target prediction in ChEMBL
  • PPB2 Publication version of PPB2 (ChEMBL22)



  • Faerun for an Interactive 3D-Visualization of SureChEMBL in the web browser, also available as a Python package
  • webDrugCS for an Interactive 3D-Visualization of DrugBank chemical space in the web browser
  • webMolCs for an Interactive 3D-Visualization of custom chemical spaces in the web browser
  • PDB-Explorer for interactive visualization and similarity search of the RSCB Protein Databank in shape space
  • TMAP for the interactive visualization of large high-dimensional data sets

TMAP Examples
- Visualizing the diverse applicability of the MAP4 fingerprint
- Screening for potential human DMT1-inhibiting compounds in ChEMBL
- ZIP8- and DMT1-inhibitory fragments along with other screening compounds, random samples of GDB17 and commercial fragments

Database Similarity Search

Downloadable Tools

Virtual Reality


Source Code