SCHEMBL27282020 — predicted protein targets

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CYP2D6	P10635	13/20	0.41

▸	SMN1; SMN2	Q16637	1/20	0.41

▸	CYP3A4	P08684	11/20	0.35

▸	CYP1A2	P05177	6/20	0.35

▸	USP2	O75604	5/20	0.35

▸	PIK3CD	O00329	2/20	0.34

▸	CYP2C19	P33261	2/20	0.34

▸	MGLL	Q99685	1/20	0.33

▸	TSHR	P16473	4/20	0.33

▸	CYP2C9	P11712	3/20	0.33

▸	ALDH1A1	P00352	2/20	0.33

▸	MEN1	O00255	1/20	0.32

▸	KMT2A	Q03164	1/20	0.32

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
SCHEMBL27281477	1.00	CYP2D6 (0.41)	CYP2D6SMN1; SMN2CYP3A4CYP1A2USP2
SCHEMBL16852136	1.00	CYP2D6 (0.41)	CYP2D6SMN1; SMN2CYP3A4CYP1A2USP2
SCHEMBL26650708	0.88	CYP3A4 (0.40)	CYP2D6SMN1; SMN2CYP3A4CYP1A2USP2
SCHEMBL17108650	0.87	CYP2D6 (0.47)	CYP2D6SMN1; SMN2CYP3A4PIK3CDTSHR
SCHEMBL2608963	0.83	CYP2D6 (0.43)	CYP2D6SMN1; SMN2CYP3A4CYP1A2USP2
SCHEMBL16441056	0.82	PIK3CD (0.35)	CYP2D6SMN1; SMN2PIK3CDTSHR
SCHEMBL12932411	0.80	SIGMAR1 (0.30)	—
SCHEMBL23374702	0.78	CYP2D6 (0.43)	CYP2D6SMN1; SMN2CYP3A4CYP1A2USP2
SCHEMBL3422699	0.78	CYP2D6 (0.50)	CYP2D6SMN1; SMN2CYP3A4PIK3CDTSHR
SCHEMBL26860169	0.78	CYP2D6 (0.40)	CYP2D6SMN1; SMN2CYP3A4CYP1A2USP2

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-2024081311-A1	CBL-B MODULATORS AND USES THEREOF	NIMBUS CLIO, INC. (US)	2024-04-18	—	—	WO	disclosed