SCHEMBL5319610 — predicted protein targets

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CYP19A1	P11511	15/20	0.46

▸	CYP3A4	P08684	1/20	0.46

▸	CYP11B1	P15538	1/20	0.46

▸	TSHR	P16473	1/20	0.46

▸	CYP11B2	P19099	1/20	0.46

▸	CYP2C19	P33261	1/20	0.46

▸	FBP1	P09467	1/20	0.39

▸	ALDH1A1	P00352	1/20	0.37

▸	MAPT	P10636	1/20	0.37

▸	MAOB	P27338	2/20	0.36

▸	HDAC2	Q92769	1/20	0.36

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
SCHEMBL11238533	0.78	NFE2L2 (0.39)	CYP19A1FBP1ALDH1A1
SCHEMBL11238537	0.78	NFE2L2 (0.39)	CYP19A1FBP1ALDH1A1
SCHEMBL8699093	0.70	FBP1 (0.59)	TSHRFBP1ALDH1A1MAPTHDAC2
SCHEMBL1687898	0.70	FBP1 (0.59)	TSHRFBP1ALDH1A1MAPTHDAC2
SCHEMBL13799049	0.70	FBP1 (0.59)	TSHRFBP1ALDH1A1MAPTHDAC2
SCHEMBL1687911	0.70	FBP1 (0.59)	TSHRFBP1ALDH1A1MAPTHDAC2
SCHEMBL1260529	0.70	FBP1 (0.59)	TSHRFBP1ALDH1A1MAPTHDAC2
SCHEMBL21574805	0.70	FBP1 (0.59)	TSHRFBP1ALDH1A1MAPTHDAC2
SCHEMBL8069632	0.69	CYP19A1 (0.52)	CYP19A1
SCHEMBL19052376	0.67	TTK (0.54)	CYP3A4CYP11B2CYP2C19FBP1ALDH1A1

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-2007107733-A1	SYNTHESIS OF 4-[1-(4-CYANO PHENYL)-(1,2,4-TR1AZOL-1-YL)METHYL] BENZONITRILE AND 4-[1-(1H-1,2,4-TRIAZOL-1-YL)METHYLENE BENZONITRILE INTERMEDIATE	CIPLA LIMITED (IN)	2007-09-27	—	—	WO	disclosed