Table 1.

Selected chemicals from the priority list for in vitro testing. Interactions for afuresertib were derived from Comparative Toxicogenomics Database (CTD) Oct 2020⁴⁶, and interactions for all other compounds derived from The Drug-Gene Interaction database (DGIdb) Nov 2020, v4.2.0⁴⁵. Gene relevance refers to the summation of the occurrence (extended choke point) and the topological importance (centrality score by PageRank). The stoichiometry of a reaction related to ACSF2 can be found in Supplementary Table S2.

Position in priority list (relevance)	Drug/chemical	Gene name	Gene symbol	Gene relevance	Interaction(s) (predicted “–”)
4 (385)	Afuresertib	Acyl-CoA synthetase family member 2	ACSF2	119	Increases exp
		Acyl-CoA synthetase long chain family member 5	ACSL5	86	Increases exp
		Phenylalanyl-TRNA synthetase subunit beta	FARSB	9	Decreases exp
		Lipin 1	LPIN1	9	Increases exp
		Metabolism of cobalamin associated B	MMAB	26	Increases exp
		Patatin like phospholipase domain containing 2	PNPLA2	3	Increases exp
		DNA polymerase alpha 2, accessory subunit	POLA2	4	Decreases exp
		DNA polymerase delta 4, accessory subunit	POLD4	4	Increases exp
		Solute carrier family 27 member 1. Long-chain fatty acid transport protein 1	SLC27A1	119	Increases exp
		Solute carrier family 29 member 1. Equilibrative nucleoside transporter 1	SLC29A1	6	Decreases exp
8 (123)	Pyrogallol	Hydroxysteroid 17-beta dehydrogenase 10	HSD17B10	119	–
		DNA polymerase kappa	POLK	4	–
9 (119)	Formononetin	Hydroxysteroid 17-beta dehydrogenase 10	HSD17B10	119	–
13 (16)	3-O-methylquercetin (Isorhamnetin)	DNA polymerase beta	POLB	4	–
		DNA polymerase eta	POLH	4	–
		DNA polymerase iota	POLI	4	–
		DNA polymerase kappa	POLK	4	–
13 (16)	Taxifolin	DNA polymerase beta	POLB	4	–
		DNA polymerase eta	POLH	4	–
		DNA Polymerase iota	POLI	4	–
		DNA Polymerase kappa	POLK	4	–