SCHEMBL10181092 — predicted protein targets

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CA2	P00918	2/20	0.47

▸	MAPK14	Q16539	8/20	0.40

▸	ALDH1A1	P00352	1/20	0.39

▸	NPSR1	Q6W5P4	1/20	0.39

▸	CCNK	O75909	1/20	0.36

▸	CDK12	Q9NYV4	1/20	0.36

▸	KCNJ5	P48544	1/20	0.34

▸	KCNJ3	P48549	1/20	0.34

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
SCHEMBL459717	0.83	CA2 (0.41)	CA2MAPK14ALDH1A1NPSR1CCNK
SCHEMBL459920	0.83	CA2 (0.41)	CA2MAPK14ALDH1A1NPSR1CCNK
SCHEMBL15244280	0.82	CA2 (0.43)	CA2MAPK14ALDH1A1NPSR1CCNK
SCHEMBL148679	0.82	CA2 (0.43)	CA2MAPK14ALDH1A1NPSR1CCNK
SCHEMBL14896744	0.81	CA2 (0.43)	CA2MAPK14ALDH1A1NPSR1CCNK
SCHEMBL14881688	0.81	CA2 (0.43)	CA2MAPK14ALDH1A1NPSR1CCNK
SCHEMBL14881884	0.81	CA2 (0.43)	CA2MAPK14ALDH1A1NPSR1CCNK
SCHEMBL459793	0.80	CA2 (0.43)	CA2MAPK14ALDH1A1NPSR1CCNK
SCHEMBL459971	0.80	CA2 (0.43)	CA2MAPK14ALDH1A1NPSR1CCNK
SCHEMBL459969	0.80	CA2 (0.43)	CA2MAPK14ALDH1A1NPSR1CCNK

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-2012012477-A1	SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS	BRISTOL-MYERS SQUIBB COMPANY (US)	2012-01-26	—	—	WO	disclosed