Citric Acid

SCHEMBL5120144

COc1cc(C2=CCCCC2)c(Cl)cc1C(=O)N1Cc2ccc(C(=O)N(C)CCCN(C)C)n2Cc2ccccc21.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.44

Known targets — ChEMBL curated mechanism

ACVR1 ADORA1 ADORA2A ADORA2B ADORA3 ESR1 ESR2 FLT3 GRIN1 GRIN2A GRIN2B GRIN2C GRIN2D GRIN3A GRIN3B GSC1 HRH1 HTR7 IDH1 IDH2 IRAK1 JAK1 JAK2 JAK3 MEN1 OPRM1 P2RX3 PDE5A SCN10A SCN11A SCN1A SCN2A SCN3A SCN4A SCN5A SCN7A SCN8A SCN9A SIGMAR1 SLC6A2 SYK TACR1 TOP2A TYK2

The experimentally established mechanism targets of Citric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	AVPR2	P30518	17/20	0.44

▸	AVPR1A	P37288	3/20	0.34

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
SCHEMBL5106745	0.94	AVPR2 (0.40)	AVPR2AVPR1A
SCHEMBL6475611	0.84	AVPR2 (0.40)	AVPR2AVPR1A
SCHEMBL5104645	0.82	AVPR2 (0.51)	AVPR2AVPR1A
SCHEMBL5785945	0.81	AVPR2 (0.42)	AVPR2AVPR1A
SCHEMBL5784767	0.81	AVPR2 (0.42)	AVPR2AVPR1A
SCHEMBL6207696	0.81	PDK1 (0.39)	AVPR2AVPR1A
SCHEMBL5785079	0.80	AVPR2 (0.42)	AVPR2AVPR1A
SCHEMBL6476400	0.80	AVPR2 (0.36)	AVPR2AVPR1A
Cadaverine Tartrate SCHEMBL6235311	0.78	AVPR2 (0.37)	AVPR2AVPR1A
SCHEMBL6629386	0.78	AVPR2 (0.46)	AVPR2AVPR1A

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
US-7326700-B2	Cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists	WYETH (US)	2008-02-05	—	—	US	disclosed