SCHEMBL19087936 — predicted protein targets

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CYP1A2	P05177	1/20	0.52

▸	SIGMAR1	Q99720	3/20	0.44

▸	HPGD	P15428	1/20	0.37

▸	NPC1	O15118	2/20	0.37

▸	RAB9A	P51151	2/20	0.37

▸	KDM5A	P29375	2/20	0.37

▸	PHF8	Q9UPP1	2/20	0.37

▸	KDM2A	Q9Y2K7	2/20	0.37

▸	KDM4C	Q9H3R0	1/20	0.37

▸	KDM4A	O75164	1/20	0.37

▸	NAAA	Q02083	2/20	0.35

▸	EPHX1	P07099	1/20	0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compound	similarity	top predicted	shared targets
SCHEMBL9257724	0.82	CYP1A2 (0.56)	CYP1A2SIGMAR1HPGDNPC1RAB9A
SCHEMBL9253742	0.82	CYP1A2 (0.56)	CYP1A2SIGMAR1HPGDNPC1RAB9A
SCHEMBL9379789	0.79	CYP1A2 (0.52)	CYP1A2SIGMAR1HPGDNPC1RAB9A
SCHEMBL6338008	0.78	CYP1A2 (0.52)	CYP1A2SIGMAR1HPGDNPC1RAB9A
SCHEMBL9668398	0.78	CYP1A2 (0.52)	CYP1A2SIGMAR1HPGDNPC1RAB9A
SCHEMBL6565536	0.76	CYP1A2 (0.48)	CYP1A2SIGMAR1HPGDNPC1RAB9A
SCHEMBL12981934	0.75	CYP1A2 (0.46)	CYP1A2SIGMAR1HPGDNPC1RAB9A
SCHEMBL8124638	0.74	SIGMAR1 (0.54)	CYP1A2SIGMAR1KDM5APHF8KDM2A
SCHEMBL8394800	0.74	CYP1A2 (0.46)	CYP1A2SIGMAR1HPGDNPC1RAB9A
SCHEMBL8392472	0.74	CYP1A2 (0.46)	CYP1A2SIGMAR1HPGDNPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2017117532-A1	SMALL MOLECULE INHIBITOR OF 3-PHOSPHOGLYCERATE DEHYDROGENASE AND USES THEREOF	CANTLEY LEWIS C (US)	2017-07-06	—	—	WO	disclosed