Citric Acid

Citric Acid

SCHEMBL6238060

Nc1ccccc1N.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

nearest known ligand 0.63

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 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 2/20 0.63
ALOX15 P16050 2/20 0.37
CYP3A4 P08684 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
FDPS P14324 1/20 0.35
HDAC3 O15379 3/20 0.34
HDAC1 Q13547 3/20 0.34
HDAC2 Q92769 3/20 0.34
HDAC4 P56524 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34

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 SCHEMBL6238058 1.00 CA4 (0.63) CA4ALOX15CYP3A4CASP1CASP7
Citric Acid SCHEMBL29054134 0.96 CA4 (0.57) CA4ALOX15CYP3A4CASP1CASP7
Citric Acid SCHEMBL6238056 0.87 CA4 (0.45) CA4ALOX15CYP3A4CASP1CASP7
Citric Acid SCHEMBL28222795 0.82 CA4 (0.85) CA4CASP1HDAC3HDAC1HDAC2
Citric Acid SCHEMBL28119995 0.81 CA4 (0.63) CA4GAAMAPTHDAC3HDAC1
Citric Acid SCHEMBL1289441 0.80 CA2 (0.61) CA4ALOX15CYP3A4SMN1; SMN2MAPT
Citric Acid SCHEMBL3657 0.79 CA4 (1.00) CA4CASP1HDAC3HDAC1HDAC2
Citric Acid SCHEMBL14675762 0.79 CA4 (0.89) CA4CASP1ALDH1A1
Citric Acid SCHEMBL11060179 0.79 CA4 (1.00) CA4CASP1HDAC3HDAC1HDAC2
Citric Acid SCHEMBL715802 0.79 CA4 (1.00) CA4CASP1HDAC3HDAC1HDAC2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1119346-B1 RNA CANCER VACCINE AND METHODS FOR ITS USE WAYNE JOHN CANCER INST (US) 2005-06-01 EP disclosed
US-6472375-B1 DNA vaccine and methods for its use JOHN WAYNE CANCER INSTITUTE 2002-10-29 US disclosed
US-6432925-B1 TUMOR ANTIGEN JOHN WAYNE CANCER INSTITUTE 2002-08-13 US disclosed
EP-1119346-A2 RNA CANCER VACCINE AND METHODS FOR ITS USE John Wayne Cancer Institute (US) 2001-08-01 EP disclosed
EP-1108028-A2 DNA CANCER VACCINE AND METHODS FOR ITS USE John Wayne Cancer Institute (US) 2001-06-20 EP disclosed
WO-2000012127-A2 DNA CANCER VACCINE AND METHODS FOR ITS USE JOHN WAYNE CANCER INSTITUTE (US) 2000-03-09 WO disclosed
WO-1999052503-A2 RNA CANCER VACCINE AND METHODS FOR ITS USE JOHN WAYNE CANCER INSTITUTE (US) 1999-10-21 WO disclosed