Citric Acid

Citric Acid

SCHEMBL10841111

COCC1(N(OCc2ccccc2)C(C)=O)CCN(CCc2cccs2)CC1.COCC1(N(OCc2ccccc2)C(C)=O)CCN(CCc2cccs2)CC1.COCC1(N(OCc2ccccc2)C(C)=O)CCN(CCc2cccs2)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

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
OPRM1 known ✓ P35372 7/20 0.55
SLC22A1 O15245 1/20 0.55
ABCB1 P08183 1/20 0.55
OPRD1 P41143 5/20 0.43
OPRK1 P41145 3/20 0.43

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 SCHEMBL10841118 1.00 OPRM1 (0.55) OPRM1SLC22A1ABCB1OPRD1OPRK1
SCHEMBL10842196 0.93 OPRM1 (0.63) OPRM1SLC22A1ABCB1OPRD1OPRK1
Citric Acid SCHEMBL10842456 0.91 OPRM1 (0.52) OPRM1SLC22A1ABCB1OPRD1OPRK1
Citric Acid SCHEMBL10842442 0.91 OPRM1 (0.52) OPRM1SLC22A1ABCB1OPRD1OPRK1
Oxalic Acid SCHEMBL10842320 0.91 OPRM1 (0.61) OPRM1SLC22A1ABCB1OPRD1OPRK1
Oxalic Acid SCHEMBL10842300 0.91 OPRM1 (0.61) OPRM1SLC22A1ABCB1OPRD1OPRK1
Citric Acid SCHEMBL10842847 0.87 OPRM1 (0.45) OPRM1SLC22A1ABCB1OPRD1OPRK1
Citric Acid SCHEMBL10842856 0.87 OPRM1 (0.45) OPRM1SLC22A1ABCB1OPRD1OPRK1
SCHEMBL5617037 0.82 OPRM1 (0.59) OPRM1SLC22A1ABCB1OPRD1OPRK1
SCHEMBL10843810 0.82 OPRM1 (0.61) OPRM1SLC22A1ABCB1OPRD1OPRK1

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-4584303-A ANALGESICS THE BOC GROUP, INC. (US) 1986-04-22 US disclosed
EP-0160422-A1 N-Aryl-N-(4-Piperidinyl)amides and pharmaceutical compositions and methods employing such compounds Anaquest, Inc. (US) 1985-11-06 EP disclosed