Citric Acid

Citric Acid

SCHEMBL28220035

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

nearest known ligand 0.60

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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 0.36
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 3/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
ALOX15 P16050 1/20 0.41
CPT2 P23786 1/20 0.39
ACLY P53396 1/20 0.39
HMGCR P04035 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
ADRA1A P35348 1/20 0.38
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
SLC13A5 Q86YT5 5/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36

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 SCHEMBL27797802 1.00 ALDH1A1 (0.60) ALDH1A1KDM4ETSHRMAPTLMNA
Citric Acid SCHEMBL17966762 0.92 ALDH1A1 (0.71) ALDH1A1KDM4ETSHRMAPTLMNA
Citric Acid SCHEMBL2236474 0.92 ALDH1A1 (0.71) ALDH1A1KDM4ETSHRMAPTLMNA
Citric Acid SCHEMBL28207935 0.90 ALDH1A1 (0.68) ALDH1A1KDM4ETSHRMAPTLMNA
Citric Acid SCHEMBL28071316 0.90 ALDH1A1 (0.68) ALDH1A1KDM4ETSHRMAPTLMNA
Citric Acid SCHEMBL28207936 0.90 ALDH1A1 (0.68) ALDH1A1KDM4ETSHRMAPTLMNA
Citric Acid SCHEMBL2199115 0.89 ALDH1A1 (0.75) ALDH1A1KDM4ETSHRMAPTLMNA
Citric Acid SCHEMBL28560793 0.89 ALDH1A1 (0.75) ALDH1A1KDM4ETSHRMAPTLMNA
Citric Acid SCHEMBL28654760 0.87 ALDH1A1 (0.71) ALDH1A1KDM4ETSHRMAPTLMNA
Citric Acid SCHEMBL6061242 0.85 ALDH1A1 (0.68) ALDH1A1KDM4ETSHRMAPTLMNA

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
CN-108061715-B Method for rapidly and quantitatively evaluating quality stability of traditional Chinese medicine injection 石药银湖制药有限公司 2020-04-24 CN disclosed
CN-108061715-A A kind of method of rapid quantitatively evaluating traditional Chinese medicine injection quality stability 石药银湖制药有限公司 2018-05-22 CN disclosed