SCHEMBL28404841 — predicted protein targets

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CYP1A2	P05177	1/20	0.54

▸	CYP2D6	P10635	1/20	0.54

▸	CYP19A1	P11511	1/20	0.54

▸	CYP2C9	P11712	1/20	0.54

▸	CYP2C19	P33261	1/20	0.54

▸	FAAH	O00519	6/20	0.48

▸	CES1	P23141	3/20	0.48

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
Palmitic Acid SCHEMBL28405218	0.87	CYP1A2 (0.54)	CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
Stearic Acid SCHEMBL28405672	0.87	CYP1A2 (0.54)	CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
Myristic Acid SCHEMBL28405674	0.87	CYP1A2 (0.54)	CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
Isopropyl Palmitate SCHEMBL28405216	0.87	LMNA (0.56)	CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
Isopropyl Myristate SCHEMBL28404485	0.87	LMNA (0.56)	CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
Stearic Acid SCHEMBL28410868	0.84	CYP1A2 (0.50)	CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
Stearic Acid SCHEMBL28405998	0.84	CYP1A2 (0.50)	CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
Stearic Acid SCHEMBL28410768	0.84	CYP1A2 (0.50)	CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
Ethyl Oleate SCHEMBL28405699	0.83	FAAH (0.57)	FAAHCES1
Propionic Acid SCHEMBL28890107	0.79	CYP2A6 (0.52)	CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19

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
CN-111097050-A	Composition comprising fatty acid or derivative thereof and phenylpyridine derivative	黄泳华	2020-05-05	—	—	CN	disclosed