Table 1. Dataset statistics.

	S	S0	GPCR	IC	Kinases
number of interactions	9536	5908	1735	1603	847
number of proteins	1821	788	85	140	143
number of molecules	3980	1180	482	295	577
number of targets per drug (mean/median)	5.2/2	7.5/3	20.3/6	5.9/3	11.5/4
number of targets per drug (min—max)	1 − 136	2 − 82	1 − 86	1 − 67	1 − 136
number of ligands per protein (mean/median)	2.4/1	5.0/3	3.6/3	5.4/3	1.5/7
number of ligands per protein (min—max)	1 − 70	2 − 48	1 − 31	1 − 26	1 − 18