SCHEMBL29131884 — predicted protein targets

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	IL1B	P01584	5/20	0.51

▸	L3MBTL1	Q9Y468	2/20	0.44

▸	NLRP3	Q96P20	6/20	0.40

▸	POLB	P06746	1/20	0.40

▸	HTR2C	P28335	1/20	0.39

▸	HTR2B	P41595	1/20	0.39

▸	NOS3	P29474	1/20	0.39

▸	NOS1	P29475	1/20	0.39

▸	NOS2	P35228	1/20	0.39

▸	CHRM2	P08172	1/20	0.37

▸	CHRM4	P08173	1/20	0.37

▸	CHRM5	P08912	1/20	0.37

▸	CHRM1	P11229	1/20	0.37

▸	CHRM3	P20309	1/20	0.37

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
SCHEMBL29131879	1.00	IL1B (0.51)	IL1BL3MBTL1NLRP3POLBHTR2C
SCHEMBL30624669	1.00	IL1B (0.51)	IL1BL3MBTL1NLRP3POLBHTR2C
SCHEMBL30108771	0.89	NLRP3 (0.52)	IL1BNLRP3NOS3NOS1NOS2
SCHEMBL28934400	0.89	NLRP3 (0.52)	IL1BNLRP3NOS3NOS1NOS2
SCHEMBL30168040	0.89	NLRP3 (0.52)	IL1BNLRP3NOS3NOS1NOS2
SCHEMBL24840287	0.89	NLRP3 (0.52)	IL1BNLRP3NOS3NOS1NOS2
SCHEMBL29131886	0.85	IL1B (0.54)	IL1BNLRP3
SCHEMBL29275818	0.85	IL1B (0.54)	IL1BNLRP3
SCHEMBL29131880	0.85	IL1B (0.54)	IL1BNLRP3
SCHEMBL29131921	0.84	PIK3CD (0.42)	—

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-116969920-A	Fused pyridazine derivative, preparation method and medical application thereof	上海辉启生物医药科技有限公司	2023-10-31	—	—	CN	disclosed