The fact that these interactions have been experimentally validated by retrospective analysis (127 of the non-identical predicted interactions were identified in a later ChEMBL release, BindingDB, or the literature) gives confidence in the reliability of the predictions. Moreover, we have seen that within the confirmed predictions the maximum Tanimoto coefficient with compounds in the SEA "training" set were as low as 0.28, demonstrating the capability of this method, that works through compound ensembles, to extrapolate to rather distant parts of the chemical space and find novel chemical diversity.