SCHEMBL12878993 — predicted protein targets

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	NR1H4	Q96RI1	18/20	0.47

▸	FABP1	P07148	6/20	0.47

▸	FABP4	P15090	1/20	0.42

▸	HSD17B13	Q7Z5P4	1/20	0.41

▸	CYP3A4	P08684	1/20	0.40

▸	CYP2C8	P10632	1/20	0.40

▸	TSHR	P16473	1/20	0.40

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
SCHEMBL22790066	0.85	NR1H4 (0.46)	NR1H4FABP1FABP4HSD17B13
SCHEMBL20951665	0.81	NR1H4 (0.45)	NR1H4FABP1FABP4HSD17B13
SCHEMBL14641959	0.81	NR1H4 (0.46)	NR1H4FABP1FABP4HSD17B13CYP3A4
SCHEMBL23114349	0.80	NR1H4 (0.54)	NR1H4FABP1FABP4HSD17B13
SCHEMBL12168747	0.78	NR1H4 (0.55)	NR1H4FABP1FABP4HSD17B13
SCHEMBL20944650	0.78	NR1H4 (0.46)	NR1H4FABP1FABP4HSD17B13TSHR
SCHEMBL20951890	0.78	NR1H4 (0.46)	NR1H4FABP1FABP4HSD17B13CYP3A4
SCHEMBL21693720	0.78	NR1H4 (0.46)	NR1H4FABP1FABP4HSD17B13
SCHEMBL22789950	0.78	NR1H4 (0.55)	NR1H4FABP1FABP4HSD17B13
SCHEMBL13145307	0.77	ALDH1A1 (0.55)	NR1H4TSHR

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-2011020615-A1	NOVEL FXR (NR1H4 ) BINDING AND ACTIVITY MODULATING COMPOUNDS	PHENEX PHARMACEUTICALS AG (DE)	2011-02-24	—	—	WO	disclosed