SCHEMBL21241177 — predicted protein targets

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	S1PR1	P21453	1/20	0.37

▸	PTGS2	P35354	2/20	0.37

▸	CYP1A1	P04798	1/20	0.34

▸	CYP1A2	P05177	1/20	0.34

▸	CYP1B1	Q16678	1/20	0.34

▸	CYP11B1	P15538	2/20	0.34

▸	CYP11B2	P19099	2/20	0.34

▸	PDE10A	Q9Y233	2/20	0.34

▸	APLNR	P35414	9/20	0.33

▸	HCRTR1	O43613	1/20	0.33

▸	HCRTR2	O43614	1/20	0.33

▸	PDE2A	O00408	1/20	0.33

▸	CYP2A6	P11509	2/20	0.33

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
SCHEMBL21241178	0.79	PTGS2 (0.41)	S1PR1PTGS2CYP11B1CYP11B2CYP2A6
SCHEMBL21240997	0.76	HSD17B10 (0.48)	CYP1A2
SCHEMBL21241500	0.75	ADORA2A (0.45)	PDE10A
SCHEMBL21241506	0.73	PDE10A (0.43)	PDE10APDE2A
SCHEMBL21241508	0.71	PDE10A (0.35)	PDE10A
SCHEMBL22598458	0.70	KIF11 (0.41)	CYP1A1CYP1B1CYP11B2
SCHEMBL21241175	0.70	PDE4B (0.43)	PDE10A
SCHEMBL22598613	0.70	TTK (0.37)	PDE10A
SCHEMBL23326234	0.70	HTR2A (0.40)	S1PR1CYP1A1CYP1A2CYP1B1CYP11B1
SCHEMBL29775389	0.70	HTR2A (0.40)	S1PR1CYP1A1CYP1A2CYP1B1CYP11B1

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-2019149260-A1	PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF	青岛清原化合物有限公司	2019-08-08	—	—	WO	disclosed