SCHEMBL21844539 — predicted protein targets

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	EPHX1	P07099	5/20	0.43

▸	KDM4E	B2RXH2	4/20	0.43

▸	ALDH1A1	P00352	2/20	0.43

▸	CYP1A2	P05177	1/20	0.42

▸	CYP2D6	P10635	1/20	0.42

▸	CYP2C19	P33261	1/20	0.42

▸	RAD52	P43351	1/20	0.38

▸	CXCR4	P61073	2/20	0.37

▸	CXCL12	P48061	1/20	0.37

▸	GNAI3	P08754	2/20	0.35

▸	GNAO1	P09471	2/20	0.35

▸	GNAI1	P63096	2/20	0.35

▸	EPHX2	P34913	1/20	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
SCHEMBL22945795	0.98	EPHX1 (0.42)	EPHX1KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL26718738	0.91	GNAI3 (0.37)	EPHX1KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL3686292	0.89	EPHX1 (0.50)	EPHX1KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL26069	0.89	EPHX1 (0.50)	EPHX1KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL19993065	0.89	GNAI3 (0.41)	CYP1A2CYP2D6CYP2C19GNAI3GNAO1
SCHEMBL24115531	0.89	EPHX1 (0.50)	EPHX1KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL23348055	0.89	EPHX1 (0.50)	EPHX1KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL13964480	0.89	EPHX1 (0.50)	EPHX1KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL3140310	0.89	EPHX1 (0.50)	EPHX1KDM4EALDH1A1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL1356285	0.87	EPHX1 (0.48)	EPHX1KDM4EALDH1A1CYP1A2CYP2D6

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-2020069106-A1	DEGRADERS THAT TARGET ALK AND THERAPEUTIC USES THEREOF	DANA-FARBER CANCER INSTITUTE, INC. (US)	2020-04-02	—	—	WO	disclosed