SCHEMBL12819983 — predicted protein targets

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	HTR2C	P28335	1/20	0.43

▸	ALDH1A1	P00352	1/20	0.41

▸	CYP3A4	P08684	1/20	0.40

▸	CYP2C9	P11712	1/20	0.40

▸	CYP2C19	P33261	1/20	0.40

▸	ELANE	P08246	5/20	0.40

▸	F2	P00734	2/20	0.40

▸	HPGD	P15428	1/20	0.39

▸	GPBAR1	Q8TDU6	2/20	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
SCHEMBL10802680	0.70	CYP2C9 (0.40)	ALDH1A1CYP3A4CYP2C9CYP2C19ELANE
SCHEMBL9782570	0.69	ALDH1A1 (0.47)	HTR2CALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL10803264	0.69	CYP3A4 (0.41)	ALDH1A1CYP3A4CYP2C9CYP2C19ELANE
SCHEMBL11453466	0.69	CYP3A4 (0.42)	HTR2CALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL9782599	0.68	ALDH1A1 (0.46)	ALDH1A1CYP3A4CYP2C9CYP2C19ELANE
SCHEMBL563134	0.67	HPGD (0.41)	HTR2CALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL4052931	0.66	HTR2C (0.72)	HTR2CALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL31316158	0.66	HTR2C (0.72)	HTR2CALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL466107	0.66	ALDH1A1 (0.66)	ALDH1A1CYP3A4HPGD
SCHEMBL3682048	0.66	ALDH1A1 (0.66)	ALDH1A1CYP3A4HPGD

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-2011032192-A1	SUBSTITUTED CLAVULANIC ACID	NABRIVA THERAPEUTICS AG (AT)	2011-03-24	—	—	WO	disclosed