SCHEMBL30239147 — predicted protein targets

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CYP2A6	P11509	4/20	0.49

▸	MTOR	P42345	2/20	0.39

▸	CYP3A4	P08684	2/20	0.39

▸	CYP2E1	P05181	2/20	0.38

▸	RPTOR	Q8N122	1/20	0.37

▸	MLST8	Q9BVC4	1/20	0.37

▸	HTT	P42858	1/20	0.37

▸	L3MBTL1	Q9Y468	1/20	0.36

▸	CHRNB2	P17787	3/20	0.35

▸	CHRNA4	P43681	3/20	0.35

▸	EP300	Q09472	1/20	0.35

▸	KAT2B	Q92831	1/20	0.35

▸	GRM4	Q14833	1/20	0.34

▸	CYP11B2	P19099	1/20	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
SCHEMBL247216	0.84	CYP2A6 (0.53)	CYP2A6MTORCYP3A4CYP2E1RPTOR
SCHEMBL31132042	0.84	CYP2A6 (0.53)	CYP2A6MTORCYP3A4CYP2E1RPTOR
SCHEMBL12410587	0.73	CYP2A6 (0.56)	CYP2A6MTORCYP3A4CYP2E1RPTOR
SCHEMBL12004826	0.72	CYP2A6 (0.55)	CYP2A6MTORCYP3A4CYP2E1RPTOR
SCHEMBL3399230	0.70	CYP2A6 (0.53)	CYP2A6MTORCYP3A4CYP2E1RPTOR
SCHEMBL3156531	0.70	CYP2A6 (0.53)	CYP2A6MTORCYP3A4CYP2E1RPTOR
SCHEMBL28194647	0.70	CYP2A6 (0.53)	CYP2A6MTORCYP3A4CYP2E1RPTOR
SCHEMBL2121774	0.70	CYP2A6 (0.53)	CYP2A6MTORCYP3A4CYP2E1RPTOR
SCHEMBL15331832	0.70	CYP2A6 (0.49)	CYP2A6MTORCYP3A4CYP2E1RPTOR
SCHEMBL12410440	0.69	CYP2A6 (0.54)	CYP2A6MTORCYP3A4RPTORMLST8

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-2023036140-A1	3CLPRO PROTEASE INHIBITOR	上海齐鲁制药研究中心有限公司	2023-03-16	—	—	WO	disclosed