SCHEMBL5798161 — predicted protein targets

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	AKR1C3	P42330	6/20	0.46

▸	AKR1C2	P52895	6/20	0.46

▸	LMNA	P02545	1/20	0.40

▸	CYP1A2	P05177	1/20	0.40

▸	CYP2D6	P10635	1/20	0.40

▸	CYP2C9	P11712	1/20	0.40

▸	TSHR	P16473	1/20	0.40

▸	NFKB1	P19838	1/20	0.40

▸	HIF1A	Q16665	1/20	0.40

▸	NPSR1	Q6W5P4	1/20	0.40

▸	PTGS1	P23219	2/20	0.40

▸	PTGS2	P35354	2/20	0.40

▸	PTGIR	P43119	4/20	0.38

▸	PTGDR	Q13258	1/20	0.37

▸	PTGDR2	Q9Y5Y4	1/20	0.37

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
SCHEMBL5800649	0.89	PTGS1 (0.46)	AKR1C3AKR1C2LMNACYP1A2CYP2D6
SCHEMBL5822939	0.89	PTGS1 (0.46)	AKR1C3AKR1C2LMNACYP1A2CYP2D6
SCHEMBL5797764	0.89	PTGS1 (0.44)	AKR1C3AKR1C2LMNACYP1A2CYP2D6
SCHEMBL5800706	0.89	PTGS2 (0.53)	AKR1C3AKR1C2LMNACYP1A2CYP2D6
SCHEMBL5797739	0.87	AKR1C3 (0.45)	AKR1C3AKR1C2LMNACYP1A2CYP2D6
SCHEMBL5800129	0.87	AKR1C3 (0.51)	AKR1C3AKR1C2LMNACYP1A2CYP2D6
SCHEMBL5798238	0.87	AKR1C3 (0.48)	AKR1C3AKR1C2LMNACYP1A2CYP2D6
SCHEMBL5560309	0.85	AKR1C3 (0.44)	AKR1C3AKR1C2LMNACYP1A2CYP2D6
SCHEMBL5560429	0.85	PTGS1 (0.45)	AKR1C3AKR1C2LMNACYP1A2CYP2D6
SCHEMBL6424335	0.83	AKR1C3 (0.39)	AKR1C3AKR1C2LMNATSHRNPSR1

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-2006050120-A2	SYNTHESIS OF COX-2 AND FAAH INHIBITORS	MICROBIA, INC. (US)	2006-05-11	—	—	WO	disclosed