SCHEMBL30744207 — predicted protein targets

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	ROCK2	O75116	14/20	0.36

▸	ROCK1	Q13464	2/20	0.36

▸	MYLK4	Q86YV6	1/20	0.34

▸	GAA	P10253	1/20	0.34

▸	ICAM1	P05362	1/20	0.34

▸	SELE	P16581	1/20	0.34

▸	VCAM1	P19320	1/20	0.34

▸	ALDH1A1	P00352	1/20	0.33

▸	L3MBTL1	Q9Y468	1/20	0.33

▸	MEN1	O00255	1/20	0.33

▸	HTT	P42858	1/20	0.33

▸	KMT2A	Q03164	1/20	0.33

▸	NAMPT	P43490	1/20	0.33

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
SCHEMBL23501445	1.00	ROCK2 (0.36)	ROCK2ROCK1MYLK4GAAICAM1
SCHEMBL23927702	0.91	ROCK2 (0.37)	ROCK2ROCK1GAAALDH1A1L3MBTL1
SCHEMBL23501355	0.90	ROCK2 (0.44)	ROCK2ROCK1MYLK4GAANAMPT
SCHEMBL30744162	0.90	ROCK2 (0.44)	ROCK2ROCK1MYLK4GAANAMPT
SCHEMBL23501353	0.90	ROCK2 (0.44)	ROCK2ROCK1MYLK4GAANAMPT
SCHEMBL30744194	0.90	ROCK2 (0.43)	ROCK2ROCK1GAAALDH1A1L3MBTL1
SCHEMBL28915354	0.90	ROCK2 (0.44)	ROCK2ROCK1ALDH1A1MEN1HTT
SCHEMBL23501411	0.90	ROCK2 (0.43)	ROCK2ROCK1GAAALDH1A1L3MBTL1
SCHEMBL23501278	0.90	ROCK2 (0.44)	ROCK2ROCK1ALDH1A1MEN1HTT
SCHEMBL30744184	0.90	ROCK2 (0.44)	ROCK2ROCK1ALDH1A1MEN1HTT

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
CN-112979675-B	Small molecular sulfur-containing heterocyclic compound	维眸生物科技（上海）有限公司	2023-12-19	—	—	CN	disclosed