Citric Acid

Citric Acid

SCHEMBL11003262

CC(C)=CC(N)CN.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.50

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Known targets — ChEMBL curated mechanism

ACVR1ADORA1ADORA2AADORA2BADORA3ESR1ESR2FLT3GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSC1HRH1HTR7IDH1IDH2IRAK1JAK1JAK2JAK3MEN1OPRM1P2RX3PDE5ASCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASIGMAR1SLC6A2SYKTACR1TOP2ATYK2

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 19)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.32
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 4/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 1/20 0.33
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
CYP2D6 P10635 2/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC13A5 Q86YT5 2/20 0.32
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
CPT2 P23786 1/20 0.31
ACLY P53396 1/20 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
Acetic Acid SCHEMBL10998790 0.80 GRIK1 (0.34) LMNATSHRADRA1ACYP2D6MEN1
Bicarbonate SCHEMBL11002153 0.80 GRIK1 (0.34) LMNATSHRADRA1ACYP2D6MEN1
Oxalic Acid SCHEMBL11002580 0.78 GRIK1 (0.34) LMNATSHRCYP2D6MEN1KMT2A
Citric Acid SCHEMBL15640977 0.76 ALDH1A1 (0.65) ALDH1A1KDM4ELMNATSHRMAPT
Citric Acid SCHEMBL6654790 0.76 ALDH1A1 (0.71) ALDH1A1KDM4ELMNATSHRMAPT
Citric Acid SCHEMBL21145087 0.76 ALDH1A1 (0.71) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL1723858 0.75
Citric Acid SCHEMBL6364484 0.74 ALDH1A1 (0.68) ALDH1A1KDM4ELMNATSHRMAPT
Citric Acid SCHEMBL1835950 0.74 ALDH1A1 (0.68) ALDH1A1KDM4ELMNATSHRMAPT
Citric Acid SCHEMBL1127711 0.73 ALDH1A1 (0.75) ALDH1A1KDM4ELMNATSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4525174-A Method and fuel composition for control of octane requirement increase UNION OIL COMPANY OF CALIFORNIA (US) 1985-06-25 US claimed
US-4525174-A Method and fuel composition for control of octane requirement increase UNION OIL COMPANY OF CALIFORNIA (US) 1985-06-25 US disclosed