SCHEMBL2826336 — predicted protein targets

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	GRM5	P41594	10/20	0.70

▸	CYP1A2	P05177	2/20	0.44

▸	CYP2C9	P11712	2/20	0.44

▸	KCNH2	Q12809	1/20	0.44

▸	CYP3A4	P08684	2/20	0.38

▸	SLC6A3	Q01959	1/20	0.37

▸	NPC1	O15118	1/20	0.37

▸	RAB9A	P51151	1/20	0.37

▸	SMN1; SMN2	Q16637	1/20	0.37

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
SCHEMBL2832204	0.90	GRM5 (0.56)	GRM5CYP1A2CYP2C9KCNH2CYP3A4
SCHEMBL2830236	0.89	GRM5 (0.71)	GRM5
SCHEMBL2832138	0.89	GRM5 (0.56)	GRM5CYP1A2CYP2C9KCNH2CYP3A4
SCHEMBL2829041	0.88	GRM5 (0.54)	GRM5CYP1A2CYP2C9KCNH2CYP3A4
SCHEMBL2829440	0.85	GRM5 (0.51)	GRM5CYP1A2CYP2C9KCNH2CYP3A4
SCHEMBL2829847	0.85	GRM5 (0.52)	GRM5CYP1A2CYP2C9KCNH2CYP3A4
SCHEMBL2832964	0.85	GRM5 (0.52)	GRM5CYP1A2CYP2C9KCNH2CYP3A4
SCHEMBL2830123	0.83	GRM5 (0.51)	GRM5CYP1A2CYP2C9KCNH2CYP3A4
SCHEMBL2828771	0.82	GRM5 (0.55)	GRM5NPC1RAB9A
SCHEMBL2830257	0.82	GRM5 (0.50)	GRM5CYP1A2

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
EP-1844044-B1	THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS	HOFFMANN LA ROCHE (CH)	2010-07-21	—	—	EP	claimed