SCHEMBL28934273 — predicted protein targets

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NLRP3	Q96P20	7/20	0.51

▸	KAT2B	Q92831	3/20	0.44

▸	IL1B	P01584	7/20	0.40

▸	ALDH1A1	P00352	1/20	0.36

▸	CCNT1	O60563	1/20	0.35

▸	CCNK	O75909	1/20	0.35

▸	CCNE1	P24864	1/20	0.35

▸	CDK2	P24941	1/20	0.35

▸	CDK9	P50750	1/20	0.35

▸	CDK12	Q9NYV4	1/20	0.35

▸	EGFR	P00533	2/20	0.35

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
SCHEMBL28934279	1.00	NLRP3 (0.51)	NLRP3KAT2BIL1BALDH1A1CCNT1
SCHEMBL26132326	0.89	NLRP3 (0.57)	NLRP3KAT2BIL1BALDH1A1CCNT1
SCHEMBL26132323	0.89	NLRP3 (0.57)	NLRP3KAT2BIL1BALDH1A1CCNT1
SCHEMBL28934512	0.88	NLRP3 (0.51)	NLRP3KAT2BIL1BALDH1A1
SCHEMBL28934509	0.88	NLRP3 (0.51)	NLRP3KAT2BIL1BALDH1A1
SCHEMBL25255243	0.87	NLRP3 (0.51)	NLRP3KAT2BIL1BALDH1A1CCNT1
SCHEMBL25296315	0.87	NLRP3 (0.51)	NLRP3KAT2BIL1BALDH1A1CCNT1
SCHEMBL25296227	0.86	NLRP3 (0.50)	NLRP3KAT2BIL1BALDH1A1CCNT1
SCHEMBL25296226	0.86	NLRP3 (0.50)	NLRP3KAT2BIL1BALDH1A1CCNT1
SCHEMBL28934639	0.86	IL1B (0.55)	NLRP3KAT2BIL1B

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-115433163-A	NLRP3 inflammasome inhibitor and application thereof	药捷安康(南京)科技股份有限公司	2022-12-06	—	—	CN	disclosed