Citric Acid

Citric Acid

SCHEMBL3639963

O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[CaH2].[CaH2].[CaH2].[Sr+2].[Sr+2].[Sr+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 SCHEMBL159935 0.97 CA4 (0.89) CA4ALDH1A1CASP1
Citric Acid SCHEMBL16318531 0.94 CA4 (0.94) CA4ALDH1A1CASP1
Citric Acid SCHEMBL21569386 0.94 CA4 (0.84) CA4ALDH1A1CASP1
Citric Acid SCHEMBL3633829 0.94 CA4 (0.84) CA4ALDH1A1CASP1
Citric Acid SCHEMBL29587574 0.94 CA4 (0.94) CA4ALDH1A1CASP1
Citric Acid SCHEMBL42945 0.94 CA4 (0.94) CA4ALDH1A1CASP1
Citric Acid SCHEMBL22686437 0.94 CA4 (0.94) CA4ALDH1A1CASP1
Citric Acid SCHEMBL1291555 0.94 CA4 (0.94) CA4ALDH1A1CASP1
Citric Acid SCHEMBL25425762 0.92 CA4 (0.90) CA4ALDH1A1CASP1
Citric Acid SCHEMBL8412054 0.92 CA4 (0.80) CA4ALDH1A1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164533-A1 STRONTIUM FORTIFIED CALCIUM NANO- AND MICROPARTICLE COMPOSITIONS AND METHODS OF MAKING AND USING THEREOF The University of Hong Kong (CN) 2010-03-24 — — EP disclosed
WO-2009000158-A1 STRONTIUM FORTIFIED CALCIUM NANO- AND MICROPARTICLE COMPOSITIONS AND METHODS OF MAKING AND USING THEREOF THE UNIVERSITY OF HONG KONG (CN) 2008-12-31 — — WO disclosed
US-20080317807-A1 STRONTIUM FORTIFIED CALCIUM NANO-AND MICROPARTICLE COMPOSITIONS AND METHODS OF MAKING AND USING THEREOF THE UNIVERSITY OF HONG KONG 2008-12-25 — — US disclosed
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