Citric Acid

Citric Acid

SCHEMBL7615147

N.N.N.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+]

nearest known ligand 0.77

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Known targets — ChEMBL curated mechanism

ACVR1ADORA1ADORA2AADORA2BADORA3ESR1ESR2FLT3GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSC1GSK3AGSK3BHRH1HRH2HTR7IDH1IDH2IMPA1IRAK1JAK1JAK2JAK3MEN1OPRM1P2RX3PDE5ASCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASIGMAR1SLC6A2SYKTACR1TOP2ATYK2

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 13)

geneUniProtsupporting neighboursconfidence
CA4 P22748 2/20 0.77
ALDH1A1 P00352 1/20 0.48
HMGCR P04035 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
ADRA1A P35348 1/20 0.37
ACLY P53396 3/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
CASP1 P29466 1/20 0.31
CPT2 P23786 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 SCHEMBL27590360 1.00 CA4 (0.77) CA4ALDH1A1HMGCRCHRM1TBXA2R
Citric Acid SCHEMBL27487044 1.00 CA4 (0.77) CA4ALDH1A1HMGCRCHRM1TBXA2R
Citric Acid SCHEMBL27950162 0.98 CA4 (0.74) CA4ALDH1A1HMGCRCHRM1TBXA2R
Citric Acid SCHEMBL43667 0.98 CA4 (0.81) CA4ALDH1A1HMGCRCHRM1TBXA2R
Citric Acid SCHEMBL27897065 0.98 CA4 (0.81) CA4ALDH1A1HMGCRCHRM1TBXA2R
Citric Acid SCHEMBL9004291 0.98 CA4 (0.81) CA4ALDH1A1HMGCRCHRM1TBXA2R
Citric Acid SCHEMBL28693270 0.98 CA4 (0.81) CA4ALDH1A1HMGCRCHRM1TBXA2R
Citric Acid SCHEMBL365961 0.95 CA4 (0.77) CA4ALDH1A1HMGCRCHRM1TBXA2R
Citric Acid SCHEMBL4362561 0.95 CA4 (0.77) CA4ALDH1A1HMGCRCHRM1TBXA2R
Citric Acid SCHEMBL13684440 0.95 CA4 (0.77) CA4ALDH1A1HMGCRCHRM1TBXA2R

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
JP-58187171-A None JP disclosed
JP-2002241986-A Ni-W-P ALLOY PLATING SOLUTION AND CONTINUOUS PLATING METHOD THEREWITH OSAKA PREFECTURE 2002-08-28 JP disclosed
JP-S58187171-A COMPOUNDED SALT-CUT SALTY SEASONING NO.11 TAKEUCHI KAZUNARI 1983-11-01 JP disclosed