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Citric Acid

Citric Acid

SCHEMBL11060179

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-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 11)

geneUniProtsupporting neighboursconfidence
▸ CA4 P22748 5/20 1.00
▸ CASP1 P29466 1/20 0.38
▸ FFAR3 O14843 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CA2 P00918 1/20 0.32
▸ FAHD1 Q6P587 1/20 0.32
▸ CA1 P00915 2/20 0.31

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 SCHEMBL715802 1.00 CA4 (1.00) CA4CASP1FFAR3HDAC3HDAC1
Citric Acid SCHEMBL3657 1.00 CA4 (1.00) CA4CASP1FFAR3HDAC3HDAC1
Citric Acid SCHEMBL2235356 1.00 CA4 (1.00) CA4CASP1FFAR3HDAC3HDAC1
Citric Acid SCHEMBL276988 1.00 CA4 (1.00) CA4CASP1FFAR3HDAC3HDAC1
Citric Acid SCHEMBL25212993 0.97 CA4 (0.94) CA4CASP1FFAR3HDAC3HDAC1
Citric Acid SCHEMBL6690080 0.97 CA4 (0.94) CA4CASP1FFAR3HDAC3HDAC1
Citric Acid SCHEMBL10692975 0.97 CA4 (0.94) CA4CASP1FFAR3HDAC3HDAC1
Citric Acid SCHEMBL21694724 0.97 CA4 (0.94) CA4CASP1FFAR3HDAC3HDAC1
Citric Acid SCHEMBL20917176 0.97 CA4 (0.94) CA4CASP1FFAR3HDAC3HDAC1
Citric Acid SCHEMBL10692967 0.97 CA4 (0.94) CA4CASP1FFAR3HDAC3HDAC1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4478735-A SLURRYING, THEN SPRAY DRYING A SURFACTANT, ZEOLITE, ALKALI METAL SILICATE AND BUILDERS LION CORPORATION (JP) 1984-10-23 — — US disclosed