SCHEMBL25300054 — predicted protein targets

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NLRP3	Q96P20	12/20	0.53

▸	IL1B	P01584	5/20	0.41

▸	PIK3CD	O00329	2/20	0.36

▸	KCNH2	Q12809	1/20	0.34

▸	GABRA1	P14867	2/20	0.34

▸	GABRG2	P18507	2/20	0.34

▸	GABRB3	P28472	2/20	0.34

▸	GABRA5	P31644	2/20	0.34

▸	GABRA3	P34903	2/20	0.34

▸	GABRA2	P47869	2/20	0.34

▸	GABRA6	Q16445	2/20	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
SCHEMBL25300053	1.00	NLRP3 (0.53)	NLRP3IL1BPIK3CDKCNH2GABRA1
SCHEMBL29030493	0.93	NLRP3 (0.53)	NLRP3IL1BKCNH2GABRA1GABRG2
SCHEMBL29030498	0.93	NLRP3 (0.53)	NLRP3IL1BKCNH2GABRA1GABRG2
SCHEMBL30834007	0.90	NLRP3 (0.62)	NLRP3IL1BKCNH2
SCHEMBL25263725	0.89	NLRP3 (0.55)	NLRP3IL1BKCNH2
SCHEMBL25302189	0.89	NLRP3 (0.55)	NLRP3IL1BKCNH2
SCHEMBL25256129	0.87	NLRP3 (0.57)	NLRP3IL1BKCNH2
SCHEMBL25304328	0.87	NLRP3 (0.57)	NLRP3IL1BKCNH2
SCHEMBL25257343	0.86	IL1B (0.54)	NLRP3IL1B
SCHEMBL25296235	0.86	IL1B (0.54)	NLRP3IL1B

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-2023131277-A1	NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF	药捷安康(南京)科技股份有限公司	2023-07-13	—	—	WO	disclosed