Welcome to MuSSel

Multi-fingerprint Similarity Search aLgorithm (MuSSel) is a predictive tool to find putative protein drug targets of new conceived small molecules or to repurpose existing bioactive compounds. Predictions are automatically made by screening a large collection of 611333 small molecules having high quality experimental bioactivity data covering 3357 protein drug targets selected from the latest release of ChEMBLdb, updated in March 2019.

For a free license, please contact us at orazio.nicolotti@uniba.it

MuSSel user's guide

If you are satisfied, please cite us:

Alberga, D.; Trisciuzzi, D.; Montaruli, M.; Leonetti, F.; Mangiatordi, G.F.; Nicolotti, O. A new approach for drug target and bioactivity prediction: the Multifingerprint Similarity Search Algorithm (MuSSeL). J. Chem. Inf. Model. 2019, 59, 586–596.

Montaruli, M.; Alberga, D.; Ciriaco, F.; Trisciuzzi, D.; Tondo, A.R.; Mangiatordi, G.F.; Nicolotti, O. Accelerating Drug Discovery by Early Protein Drug Target Prediction Based on a Multi-Fingerprint Similarity Search. Molecules 2019, 24, 2233.