SCHEMBL19086217 — predicted protein targets

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	ROCK2	O75116	5/20	0.43

▸	ROCK1	Q13464	4/20	0.43

▸	HDAC6	Q9UBN7	5/20	0.39

▸	KDM1A	O60341	4/20	0.39

▸	MAPK14	Q16539	1/20	0.38

▸	METTL3	Q86U44	1/20	0.37

▸	AKT1	P31749	1/20	0.37

▸	FLT3	P36888	1/20	0.36

▸	MAOB	P27338	1/20	0.36

▸	PRMT5	O14744	2/20	0.36

▸	WDR77	Q9BQA1	2/20	0.36

▸	KDR	P35968	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
SCHEMBL19086995	0.90	ROCK2 (0.47)	ROCK2ROCK1HDAC6KDM1AMAPK14
SCHEMBL19086190	0.89	ROCK2 (0.48)	ROCK2ROCK1HDAC6KDM1AMAPK14
SCHEMBL19086209	0.89	ROCK2 (0.43)	ROCK2ROCK1HDAC6KDM1AMAPK14
SCHEMBL19086249	0.87	ROCK2 (0.50)	ROCK2ROCK1HDAC6KDM1AMAPK14
SCHEMBL19086026	0.85	METTL3 (0.44)	ROCK2ROCK1HDAC6KDM1AMETTL3
SCHEMBL19086050	0.85	ROCK2 (0.41)	ROCK2ROCK1HDAC6MAPK14AKT1
SCHEMBL19086198	0.82	HDAC6 (0.38)	ROCK2ROCK1HDAC6KDM1AMETTL3
SCHEMBL19086214	0.81	METTL3 (0.48)	ROCK2ROCK1MAPK14METTL3MAOB
SCHEMBL19086056	0.80	ROCK2 (0.43)	ROCK2ROCK1HDAC6MAPK14AKT1
SCHEMBL19086024	0.80	MAOB (0.43)	ROCK2ROCK1HDAC6KDM1AMETTL3

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