Here you can run a target prediction for your input compound: There are different ways to start the prediction.
Search a compound by its name via pubchem
Create structure by smiles
Draw your structure
Load a molecule by clicking on
The target prediction is based on the similarity distribution among the targets’ ligands. The distributions are utilized for estimating individual thresholds and probabilities for a specific target.
Your input compound will be screened against a database containing 1,800 mammal proteins, 341,000 compounds and 665,000 compound-target interactions.
No compound found. Please try again. PubChem notation required!
As an example molecule Ulipristal was chosen. It is a new classified drug and isn't included in the dataset. By clicking on insert example Ulipristal is loaded into ChemDoodle. To classify it, please click on Start Target-Prediction.