SCHEMBL30020366 — predicted protein targets

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CYP1A2	P05177	1/20	0.49

▸	GLA	P06280	2/20	0.47

▸	GAA	P10253	2/20	0.47

▸	KDM4E	B2RXH2	2/20	0.47

▸	XDH	P47989	1/20	0.44

▸	PDE3B	Q13370	1/20	0.40

▸	PDE3A	Q14432	1/20	0.40

▸	ALPL	P05186	3/20	0.38

▸	MAPK1	P28482	1/20	0.38

▸	ABL1	P00519	2/20	0.37

▸	SRC	P12931	2/20	0.37

▸	MAPT	P10636	2/20	0.37

▸	NR4A2	P43354	1/20	0.36

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
SCHEMBL30020861	0.81	CYP1A2 (0.50)	CYP1A2GLAGAAKDM4EXDH
SCHEMBL31021896	0.81	CYP1A2 (0.49)	CYP1A2GLAGAAKDM4EXDH
SCHEMBL17362802	0.80	CYP1A2 (0.49)	CYP1A2GLAGAAKDM4EXDH
SCHEMBL3338566	0.77	CYP1A2 (0.52)	CYP1A2GLAGAAKDM4EXDH
SCHEMBL20645712	0.75	CYP1A2 (0.50)	CYP1A2GLAGAAKDM4EXDH
SCHEMBL16652940	0.74	GAA (0.66)	CYP1A2GLAGAAKDM4EPDE3B
SCHEMBL20645713	0.74	CYP1A2 (0.49)	CYP1A2GLAGAAKDM4EXDH
SCHEMBL16115046	0.74	XDH (0.51)	CYP1A2GLAGAAKDM4EXDH
SCHEMBL19332337	0.72	CYP1A2 (0.44)	CYP1A2GLAGAAKDM4EXDH
SCHEMBL14743565	0.72	CYP1A2 (0.44)	CYP1A2GLAGAAKDM4EXDH

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-2022222871-A1	HETEROCYCLIC COMPOUNDS AS KRAS G12C INHIBITORS	BEIJING INNOCARE PHARMA TECH CO., LTD. (CN)	2022-10-27	—	—	WO	disclosed