SCHEMBL30744178 — predicted protein targets

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	AAK1	Q2M2I8	2/20	0.41

▸	NAMPT	P43490	2/20	0.37

▸	CYP2C9	P11712	1/20	0.37

▸	ROCK2	O75116	12/20	0.37

▸	TNF	P01375	1/20	0.34

▸	CTSS	P25774	1/20	0.34

▸	CTSK	P43235	1/20	0.34

▸	LATS1	O95835	1/20	0.33

▸	TRPV1	Q8NER1	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
SCHEMBL28580894	1.00	AAK1 (0.41)	AAK1NAMPTCYP2C9ROCK2TNF
SCHEMBL23521642	0.92	ROCK2 (0.42)	AAK1NAMPTCYP2C9ROCK2TNF
SCHEMBL28409474	0.91	NAMPT (0.37)	AAK1NAMPTCYP2C9ROCK2TNF
SCHEMBL23927682	0.90	ROCK2 (0.44)	NAMPTCYP2C9ROCK2TNF
SCHEMBL23501364	0.90	ROCK2 (0.37)	NAMPTCYP2C9ROCK2TNFLATS1
SCHEMBL23521448	0.90	ROCK2 (0.44)	NAMPTCYP2C9ROCK2TNF
SCHEMBL29180263	0.90	NAMPT (0.37)	NAMPTCYP2C9ROCK2TNFLATS1
SCHEMBL23522326	0.89	ROCK2 (0.38)	AAK1NAMPTCYP2C9ROCK2TNF
SCHEMBL23963658	0.87	ROCK2 (0.37)	NAMPTCYP2C9ROCK2TNF
SCHEMBL23963653	0.87	ROCK2 (0.37)	NAMPTCYP2C9ROCK2TNF

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