Citric Acid

SCHEMBL18263181

O=C(O)CC(O)(CC(=O)O)C(=O)[O-].O=C(O)CC(O)(CC(=O)O)C(=O)[O-].O=C(O)CC(O)(CC(=O)O)C(=O)[O-].O=C(O)CC(O)(CC(=O)O)C(=O)[O-].O=C(O)CC(O)(CC(=O)O)C(=O)[O-].O=C(O)CC(O)(CC(=O)O)C(=O)[O-].O=C(O)CC(O)(CC(=O)O)C(=O)[O-].O=C(O)CC(O)(CC(=O)O)C(=O)[O-].O=C(O)CC(O)(CC(=O)O)C(=O)[O-].O=C(O)CC(O)(CC(=O)O)C(=O)[O-].O=C(O)CC(O)(CC(=O)O)C(=O)[O-].O=C(O)CC(O)(CC(=O)O)C(=O)[O-].O=C(O)CC(O)(CC(=O)O)C(=O)[O-].O=C(O)CC(O)(CC(=O)O)C(=O)[O-].O=C(O)CC(O)(CC(=O)O)C(=O)[O-].O=C(O)CC(O)(CC(=O)O)C(=O)[O-].O=C(O)CC(O)(CC(=O)O)C(=O)[O-].O=C(O)CC(O)(CC(=O)O)C(=O)[O-].O=C(O)CC(O)(CC(=O)O)C(=O)[O-].O=C(O)CC(O)(CC(=O)O)C(=O)[O-].O=C(O)CC(O)(CC(=O)O)C(=O)[O-].O=C(O)CC(O)(CC(=O)O)C(=O)[O-].O=C(O)CC(O)(CC(=O)O)C(=O)[O-].O=C(O)CC(O)(CC(=O)O)C(=O)[O-].O=C(O)CC(O)(CC(=O)O)C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2]

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACVR1 ADORA1 ADORA2A ADORA2B ADORA3 ESR1 ESR2 FLT3 GRIN1 GRIN2A GRIN2B GRIN2C GRIN2D GRIN3A GRIN3B GSC1 GSK3A GSK3B HRH1 HRH2 HTR7 IDH1 IDH2 IMPA1 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 13)

	gene	UniProt	supporting neighbours	confidence
▸	CA4	P22748	1/20	0.73

▸	ALDH1A1	P00352	1/20	0.50

▸	HMGCR	P04035	1/20	0.39

▸	CHRM1	P11229	1/20	0.39

▸	TBXA2R	P21731	1/20	0.39

▸	ADRA1A	P35348	1/20	0.39

▸	ACLY	P53396	3/20	0.32

▸	CYP2D6	P10635	1/20	0.32

▸	TSHR	P16473	1/20	0.32

▸	CYP2C19	P33261	1/20	0.32

▸	HIF1A	Q16665	1/20	0.32

▸	CPT2	P23786	1/20	0.31

▸	SLC13A5	Q86YT5	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 SCHEMBL9120773	1.00	CA4 (0.73)	CA4ALDH1A1HMGCRCHRM1TBXA2R
Citric Acid SCHEMBL1301477	1.00	CA4 (0.73)	CA4ALDH1A1HMGCRCHRM1TBXA2R
Citric Acid SCHEMBL29276644	0.98	CA4 (0.70)	CA4ALDH1A1HMGCRCHRM1TBXA2R
Citric Acid SCHEMBL3408933	0.98	CA4 (0.70)	CA4ALDH1A1HMGCRCHRM1TBXA2R
Citric Acid SCHEMBL8522371	0.98	CA4 (0.70)	CA4ALDH1A1HMGCRCHRM1TBXA2R
Citric Acid SCHEMBL2908842	0.98	CA4 (0.70)	CA4ALDH1A1HMGCRCHRM1TBXA2R
Citric Acid SCHEMBL5471630	0.98	CA4 (0.76)	CA4ALDH1A1HMGCRCHRM1TBXA2R
Citric Acid SCHEMBL1684057	0.95	CA4 (0.73)	CA4ALDH1A1HMGCRCHRM1TBXA2R
Citric Acid SCHEMBL9319655	0.95	CA4 (0.73)	CA4ALDH1A1HMGCRCHRM1TBXA2R
Citric Acid SCHEMBL21569387	0.95	CA4 (0.73)	CA4ALDH1A1HMGCRCHRM1TBXA2R

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20180153202-A1	SPRAY DRYING	GIVAUDAN SA (CH)	2018-06-07	—	—	US	claimed
EP-3302098-A1	SPRAY DRYING	Givaudan S.A. (CH)	2018-04-11	—	—	EP	claimed
WO-2016189032-A1	SPRAY DRYING	GIVAUDAN SA (CH)	2016-12-01	—	—	WO	claimed
US-20180153202-A1	SPRAY DRYING	GIVAUDAN SA (CH)	2018-06-07	—	—	US	disclosed
EP-3302098-A1	SPRAY DRYING	Givaudan S.A. (CH)	2018-04-11	—	—	EP	disclosed
WO-2016189032-A1	SPRAY DRYING	GIVAUDAN SA (CH)	2016-12-01	—	—	WO	disclosed