Citric Acid

Citric Acid

SCHEMBL3633955

O=C([O-])CC(CC(=O)[O-])(OC(=O)CC(O)(CC(=O)O)C(=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 0.46

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 8)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 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.

Compoundsimilaritytop predictedshared targets
Citric Acid SCHEMBL19585410 0.97 CA4 (0.46) CA4ALDH1A1KDM4ELMNAMAPT
Water SCHEMBL17843652 0.94 ALDH1A1 (0.47) CA4ALDH1A1KDM4ELMNAMAPT
Potassium Ion SCHEMBL1389321 0.92 ALDH1A1 (0.48) CA4ALDH1A1KDM4ELMNAMAPT
SCHEMBL149815 0.92 ALDH1A1 (0.48) CA4ALDH1A1KDM4ELMNAMAPT
Water SCHEMBL28741257 0.91 ALDH1A1 (0.47) CA4ALDH1A1KDM4ELMNAMAPT
Water SCHEMBL7558083 0.91 ALDH1A1 (0.47) CA4ALDH1A1KDM4ELMNAMAPT
SCHEMBL27748681 0.91 ALDH1A1 (0.47) CA4ALDH1A1KDM4ELMNAMAPT
Potassium Ion SCHEMBL12980475 0.91 ALDH1A1 (0.47) CA4ALDH1A1KDM4ELMNAMAPT
SCHEMBL1938661 0.91 ALDH1A1 (0.47) CA4ALDH1A1KDM4ELMNAMAPT
SCHEMBL29234711 0.89 CA4 (0.55) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101715350-A Strontium fortified calcium nanoparticle and microparticle compositions and methods of making and using the same UNIV HONG KONG 2010-05-26 CN disclosed
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