Citric Acid

Citric Acid

SCHEMBL5524322

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

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 SCHEMBL17500037 0.97 CA4 (0.89) CA4ALDH1A1CASP1
Citric Acid SCHEMBL9723996 0.97 CA4 (0.89) CA4ALDH1A1CASP1
Citric Acid SCHEMBL896564 0.97 CA4 (0.89) CA4ALDH1A1CASP1
Citric Acid SCHEMBL21935 0.97 CA4 (0.89) CA4ALDH1A1CASP1
Citric Acid SCHEMBL3216454 0.94 CA4 (0.94) CA4ALDH1A1CASP1
Citric Acid SCHEMBL5421322 0.94 CA4 (0.94) CA4ALDH1A1CASP1
Citric Acid SCHEMBL1856156 0.94 CA4 (0.84) CA4ALDH1A1CASP1
Citric Acid SCHEMBL524765 0.94 CA4 (0.84) CA4ALDH1A1CASP1
Citric Acid SCHEMBL3958237 0.94 CA4 (0.84) CA4ALDH1A1CASP1
Citric Acid SCHEMBL29401923 0.94 CA4 (0.84) 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
US-20070060900-A1 Ostomy Device with Deodorizing Efficacy NATIONAL RESEARCH LABORATORIES, LTD. (US) 2007-03-15 US disclosed
US-20060165610-A1 Composition for Treating and Preventing Periodontal Disease and Method of Use NATIONAL RESEARCH LABORATORIES, LTD. (US) 2006-07-27 US disclosed
US-20060165611-A1 Composition for Treating and Preventing Periodontal Disease and Method of Use NATIONAL RESEARCH LABORATORIES, LTD. (US) 2006-07-27 US disclosed
US-20060089407-A1 Methods for Making and Using Synergistic Multifunctional Compositions NATIONAL RESEARCH LABORATORIES, LTD. (US) 2006-04-27 US disclosed
US-20060088477-A1 Compositions and Methods of Dispensing Palliative or Therapeutic Agents NATIONAL RESEARCH LABORATORIES, LTD. (US) 2006-04-27 US disclosed
US-4680309-A DIALKALI METAL HEAVY CHELATE OF A HYDROXY POLYCARBOXYLIC ACID NATIONAL RESEARCH LABORATORIES (US) 1987-07-14 US disclosed