Citric Acid

Citric Acid

SCHEMBL163928

ClC[C@@H]1CNCCc2ccccc21.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.41

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 20)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 2/20 0.36
MEN1 known ✓ O00255 1/20 0.34
TAAR1 Q96RJ0 1/20 0.41
HTR2C P28335 4/20 0.41
HTR2A P28223 3/20 0.41
HTR2B P41595 3/20 0.41
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC13A5 Q86YT5 4/20 0.38
DRD2 P14416 2/20 0.38
DRD1 P21728 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33

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
Glycolic Acid SCHEMBL162065 0.88 TAAR1 (0.47) TAAR1HTR2CHTR2AHTR2BTSHR
Malonic Acid SCHEMBL160930 0.85 TAAR1 (0.47) TAAR1HTR2CHTR2AHTR2BTSHR
Succinic Acid SCHEMBL161276 0.85 TAAR1 (0.47) TAAR1HTR2CHTR2AHTR2BTSHR
Citric Acid SCHEMBL175225 0.83 HTR2C (0.63) TAAR1HTR2CHTR2AHTR2BTSHR
Adipic Acid SCHEMBL161399 0.83 HTR2C (0.48) TAAR1HTR2CHTR2AHTR2BTSHR
Adipic Acid SCHEMBL174687 0.83 HTR2C (0.48) TAAR1HTR2CHTR2AHTR2BTSHR
SCHEMBL162669 0.82 HTR2C (0.57) TAAR1HTR2CHTR2AHTR2B
SCHEMBL163850 0.82 HTR2C (0.57) TAAR1HTR2CHTR2AHTR2B
Fumaric Acid SCHEMBL159722 0.82 TAAR1 (0.46) TAAR1HTR2CHTR2AHTR2BTSHR
Maleic Acid SCHEMBL161822 0.82 TAAR1 (0.46) TAAR1HTR2CHTR2AHTR2BTSHR

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-2012030953-A1 5-HT2C RECEPTOR AGONISTS IN THE TREATMENT OF DISORDERS AMELIORATED BY REDUCTION OF NOREPINEPHRINE LEVEL ARENA PHARMACEUTICALS, INC. (US) 2012-03-08 WO disclosed