SCHEMBL24964168 — predicted protein targets

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CYP1A2	P05177	1/20	0.42

▸	CYP2C9	P11712	1/20	0.42

▸	CYP2C19	P33261	1/20	0.42

▸	HTT	P42858	1/20	0.42

▸	CA1	P00915	1/20	0.41

▸	CA2	P00918	1/20	0.41

▸	CA7	P43166	1/20	0.41

▸	SMN1; SMN2	Q16637	1/20	0.39

▸	CTSK	P43235	6/20	0.38

▸	CYP2D6	P10635	1/20	0.38

▸	CTSL	P07711	1/20	0.37

▸	CTSS	P25774	1/20	0.36

▸	APLNR	P35414	1/20	0.36

▸	ABCB1	P08183	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
SCHEMBL14930791	0.86	CA1 (0.42)	CYP1A2CYP2C9CYP2C19HTTCA1
SCHEMBL1912577	0.84	CYP1A2 (0.43)	CYP1A2CYP2C9CYP2C19HTTCA1
SCHEMBL1912578	0.84	CYP1A2 (0.43)	CYP1A2CYP2C9CYP2C19HTTCA1
SCHEMBL1912574	0.84	CYP1A2 (0.43)	CYP1A2CYP2C9CYP2C19HTTCA1
SCHEMBL29496898	0.74	CYP1A2 (0.44)	CYP1A2CYP2C9CYP2C19HTTCA1
SCHEMBL31188723	0.74	CYP1A2 (0.44)	CYP1A2CYP2C9CYP2C19HTTCA1
SCHEMBL24962305	0.74	CYP1A2 (0.44)	CYP1A2CYP2C9CYP2C19HTTCA1
SCHEMBL2546237	0.74	CYP1A2 (0.44)	CYP1A2CYP2C9CYP2C19HTTCA1
SCHEMBL13058172	0.74	MEN1 (0.39)	CYP1A2CYP2C9CYP2C19HTTCA1
SCHEMBL2922518	0.74	MEN1 (0.39)	CYP1A2CYP2C9CYP2C19HTTCA1

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-2023001247-A1	PYRIDAZINONE COMPOUND	南京明德新药研发有限公司	2023-01-26	—	—	WO	disclosed