Citric Acid

SCHEMBL986566

CC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.40

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 11)

	gene	UniProt	supporting neighbours	confidence
▸	GAA	P10253	2/20	0.40

▸	ALDH1A1	P00352	2/20	0.39

▸	NAAA	Q02083	2/20	0.38

▸	SMN1; SMN2	Q16637	1/20	0.32

▸	ACLY	P53396	1/20	0.31

▸	NPC1L1	Q9UHC9	1/20	0.30

▸	KDM4E	B2RXH2	1/20	0.30

▸	LMNA	P02545	1/20	0.30

▸	MAPT	P10636	1/20	0.30

▸	ALOX15	P16050	1/20	0.30

▸	TSHR	P16473	1/20	0.30

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
Citric Acid SCHEMBL986568	1.00	GAA (0.40)	GAAALDH1A1NAAASMN1; SMN2ACLY
SCHEMBL985035	0.89	GAA (0.43)	GAAALDH1A1NPC1L1KDM4ELMNA
SCHEMBL825543	0.85	GAA (0.47)	GAAALDH1A1NAAASMN1; SMN2LMNA
SCHEMBL987437	0.85	GAA (0.47)	GAAALDH1A1NPC1L1KDM4E
SCHEMBL9705336	0.85	NAAA (0.49)	GAANAAASMN1; SMN2
SCHEMBL29610284	0.85	NAAA (0.49)	GAANAAASMN1; SMN2
SCHEMBL13800607	0.85	NAAA (0.49)	GAANAAASMN1; SMN2
SCHEMBL1332303	0.85	NAAA (0.49)	GAANAAASMN1; SMN2
SCHEMBL9577723	0.85	NAAA (0.49)	GAANAAASMN1; SMN2
SCHEMBL471135	0.85	NAAA (0.49)	GAANAAASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-7862746-B2	Stabilization of natural composites	BASF SE. (DE)	2011-01-04	—	—	US	claimed
WO-2006087269-A1	STABILIZATION OF NATURAL COMPOSITES	CIBA SPECIALTY CHEMICALS HOLDING INC. (CH)	2006-08-24	—	—	WO	claimed
WO-2006087269-A1	STABILIZATION OF NATURAL COMPOSITES	CIBA SPECIALTY CHEMICALS HOLDING INC. (CH)	2006-08-24	—	—	WO	disclosed