SCHEMBL28347902 — predicted protein targets

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	ENPP2	Q13822	2/20	0.39

▸	AKR1C3	P42330	1/20	0.39

▸	CA2	P00918	3/20	0.38

▸	PTGS2	P35354	2/20	0.37

▸	DAO	P14920	1/20	0.37

▸	SMN1; SMN2	Q16637	1/20	0.36

▸	PSIP1	O75475	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
SCHEMBL10453222	0.78	ENPP2 (0.42)	ENPP2AKR1C3PTGS2DAO
SCHEMBL10453223	0.78	ENPP2 (0.42)	ENPP2AKR1C3PTGS2DAO
SCHEMBL28830799	0.78	ENPP2 (0.47)	ENPP2AKR1C3PTGS2DAO
SCHEMBL10453221	0.78	ENPP2 (0.42)	ENPP2AKR1C3PTGS2DAO
SCHEMBL1428902	0.77	ENPP2 (0.48)	ENPP2AKR1C3PTGS2DAO
SCHEMBL109776	0.75	MAOB (0.41)	—
SCHEMBL28351707	0.73	MAOB (0.39)	SMN1; SMN2
SCHEMBL3920909	0.73	ESR1 (0.44)	PTGS2
SCHEMBL3920915	0.73	ESR1 (0.44)	PTGS2
SCHEMBL27666030	0.73	KCNH2 (0.54)	SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-110563535-B	Method for synthesizing 1, 2-disubstituted olefin compound by alkyne alkylation	浙江工业大学	2022-03-18	—	—	CN	disclosed
CN-110563535-A	method for synthesizing 1, 2-disubstituted olefin compound by alkyne alkylation	浙江工业大学	2019-12-13	—	—	CN	disclosed