SCHEMBL25112059 — predicted protein targets

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	CYP2A6	P11509	1/20	0.46

▸	CYP11B1	P15538	3/20	0.39

▸	CYP11B2	P19099	3/20	0.39

▸	CHRNB2	P17787	4/20	0.35

▸	CHRNB4	P30926	4/20	0.35

▸	CHRNA3	P32297	4/20	0.35

▸	CHRNA4	P43681	4/20	0.35

▸	CHRNB1	P11230	1/20	0.35

▸	CHRNB3	Q05901	1/20	0.35

▸	HCAR2	Q8TDS4	1/20	0.33

▸	SMYD3	Q9H7B4	1/20	0.33

▸	MAPK1	P28482	1/20	0.33

▸	NOS3	P29474	1/20	0.32

▸	NOS1	P29475	1/20	0.32

▸	GAA	P10253	1/20	0.31

▸	ATM	Q13315	1/20	0.31

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
SCHEMBL748571	0.77	CHRNB2 (0.34)	CHRNB2CHRNB4CHRNA3CHRNA4HCAR2
SCHEMBL2355080	0.75	CYP2A6 (0.51)	CYP2A6CYP11B1CYP11B2CHRNB2CHRNB4
SCHEMBL31200251	0.73	CYP2A6 (0.43)	CYP2A6CYP11B1CYP11B2CHRNB2CHRNB4
SCHEMBL25816728	0.73	CYP2A6 (0.43)	CYP2A6CYP11B1CYP11B2CHRNB2CHRNB4
SCHEMBL23990304	0.72	CYP2A6 (0.53)	CYP2A6CYP11B2CHRNB2CHRNB4CHRNA3
SCHEMBL25112078	0.71	MAPK1 (0.33)	MAPK1
SCHEMBL27724534	0.71	CHRNB2 (0.53)	CYP2A6CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25819381	0.70	CYP2A6 (0.41)	CYP2A6CYP11B1CYP11B2CHRNB2CHRNB4
SCHEMBL28862286	0.70	NOS3 (0.53)	CYP2A6CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13657897	0.69	MAOB (0.40)	—

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-2023036217-A1	ACRYLAMIDE COMPOUND AND USE THEREOF	南京明德新药研发有限公司	2023-03-16	—	—	WO	disclosed