PPI inhibitors. We assembled a compound database of PPI inhibitors from the IPP-Fr database and ChEMBL_27 . The database contains 2,403 unique (non-duplicate) PPI inhibitors from 28 subfamilies (the subfamilies are summarized in Table of the Supplementary Material) that were set as the success case (positive set). All selected targets are reported as PPI on different databases like HIPPIE . The criteria to include a molecule in the set is the activity, independent if it is an agonist or antagonist.