Citric Acid

Citric Acid

SCHEMBL2460192

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

nearest known ligand 0.84

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BHRH2IMPA1

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 3)

geneUniProtsupporting neighboursconfidence
CA4 P22748 3/20 0.84
ALDH1A1 P00352 1/20 0.32
CASP1 P29466 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.

Compoundsimilaritytop predictedshared targets
Citric Acid SCHEMBL372577 1.00 CA4 (0.84) CA4ALDH1A1CASP1
Citric Acid SCHEMBL372574 1.00 CA4 (0.84) CA4ALDH1A1CASP1
Citric Acid SCHEMBL372480 1.00 CA4 (0.84) CA4ALDH1A1CASP1
Citric Acid SCHEMBL28575943 1.00 CA4 (0.84) CA4ALDH1A1CASP1
Citric Acid SCHEMBL372478 1.00 CA4 (0.84) CA4ALDH1A1CASP1
Citric Acid SCHEMBL372195 1.00 CA4 (0.84) CA4ALDH1A1CASP1
Citric Acid SCHEMBL132575 1.00 CA4 (0.84) CA4ALDH1A1CASP1
Citric Acid SCHEMBL163778 1.00 CA4 (0.84) CA4ALDH1A1CASP1
Citric Acid SCHEMBL23012792 0.97 CA4 (0.89) CA4ALDH1A1CASP1
Citric Acid SCHEMBL8845344 0.97 CA4 (0.89) CA4ALDH1A1CASP1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2383251-B1 Co-precipitated salts of fatty acids JOST CHEMICAL CO (US) 2018-05-09 EP disclosed
US-8378131-B2 Co-precipitated salts of fatty acids Jost Chemical Company (US) 2013-02-19 US disclosed
US-8178707-B2 Co-precipitated salts of fatty acids Jost Chemical Company (US) 2012-05-15 US disclosed
US-20120116106-A1 CO-PRECIPITATED SALTS OF FATTY ACIDS JOST CHEMICAL CO. (US) 2012-05-10 US disclosed
EP-2383251-A2 Co-precipitated salts of fatty acids Jost Chemical Co. (US) 2011-11-02 EP disclosed
US-20110237813-A1 CO-PRECIPITATED SALTS OF FATTY ACIDS JOST CHEMICAL CO. (US) 2011-09-29 US disclosed