Citric Acid

Citric Acid

SCHEMBL31534540

Cc1cccc(C)c1CNc1cc(NC(=O)NCCO)cn2c(C)c(C)nc12.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.61

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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 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.61
CYP2C9 P11712 20/20 0.61
CYP2D6 P10635 10/20 0.61
CYP2C19 P33261 8/20 0.47
CYP1A2 P05177 7/20 0.47

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 SCHEMBL31534529 0.94 CYP3A4 (0.53) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL31534423 0.91 CYP3A4 (0.73) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
Citric Acid SCHEMBL31534506 0.89 CYP3A4 (0.54) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
Citric Acid SCHEMBL31534485 0.86 CYP3A4 (0.55) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL31534453 0.86 CYP3A4 (0.60) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
Citric Acid SCHEMBL31534500 0.85 CYP3A4 (0.50) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
Citric Acid SCHEMBL31534536 0.85 CYP3A4 (0.50) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL31534375 0.84 CYP3A4 (0.60) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL31534448 0.84 CYP3A4 (0.59) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL31534341 0.83 CYP3A4 (0.61) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025058459-A1 NOVEL IMIDAZOPYRIDINE-BASED COMPOUND AND COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING, ALLEVIATING, OR TREATING GASTROINTESTINAL INFLAMMATORY DISEASES OR GASTRIC ACID-RELATED DISEASES (주)휴온스 2025-03-20 WO disclosed