SCHEMBL19086141 — predicted protein targets

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	ROCK2	O75116	9/20	0.44

▸	ROCK1	Q13464	3/20	0.44

▸	MAPK14	Q16539	1/20	0.41

▸	HDAC6	Q9UBN7	2/20	0.40

▸	CYP3A4	P08684	3/20	0.37

▸	NPC1	O15118	2/20	0.37

▸	RAB9A	P51151	2/20	0.37

▸	RPS6KB1	P23443	1/20	0.37

▸	AKT1	P31749	1/20	0.36

▸	PRNP	P04156	1/20	0.36

▸	CALCRL	Q16602	2/20	0.36

▸	PRMT5	O14744	1/20	0.35

▸	WDR77	Q9BQA1	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
SCHEMBL19086020	0.98	ROCK2 (0.44)	ROCK2ROCK1MAPK14HDAC6CYP3A4
SCHEMBL19086047	0.98	ROCK2 (0.44)	ROCK2ROCK1MAPK14HDAC6CYP3A4
SCHEMBL19086052	0.95	ROCK2 (0.46)	ROCK2ROCK1MAPK14HDAC6CYP3A4
SCHEMBL19086056	0.94	ROCK2 (0.43)	ROCK2ROCK1MAPK14HDAC6CYP3A4
SCHEMBL19086049	0.94	ROCK2 (0.43)	ROCK2ROCK1MAPK14HDAC6CYP3A4
SCHEMBL19086051	0.94	ROCK2 (0.48)	ROCK2ROCK1MAPK14HDAC6CYP3A4
SCHEMBL19086055	0.93	ROCK2 (0.40)	ROCK2ROCK1MAPK14HDAC6CYP3A4
SCHEMBL19086054	0.92	ROCK2 (0.41)	ROCK2ROCK1MAPK14HDAC6CYP3A4
SCHEMBL19086046	0.92	ROCK2 (0.41)	ROCK2ROCK1MAPK14HDAC6CYP3A4
SCHEMBL19086050	0.92	ROCK2 (0.41)	ROCK2ROCK1MAPK14HDAC6CYP3A4

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-2017114275-A1	COMPOUND FOR INHIBITING ROCK, PREPARATION METHOD AND USE OF SAME	成都先导药物开发有限公司	2017-07-06	—	—	WO	disclosed