Citric Acid

Citric Acid

SCHEMBL5333445

O=C(O)CC(O)(CC(=O)O)C(=O)O.O=CNC[C@H]1CN(c2ccc(-n3cccn3)c(F)c2)C(=O)O1

nearest known ligand 0.47

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 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.47
MAOA P21397 5/20 0.47
LMNA P02545 1/20 0.45
PTGS1 P23219 1/20 0.45
CALML3 P27482 1/20 0.45
SDHA P31040 1/20 0.45
F10 P00742 9/20 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
SCHEMBL5334630 0.91 MAOB (0.48) MAOBMAOALMNAPTGS1CALML3
Hydrochloric Acid SCHEMBL5334751 0.90 MAOB (0.47) MAOBMAOALMNAPTGS1CALML3
Citric Acid SCHEMBL5334822 0.89 MAOB (0.49) MAOBMAOALMNAPTGS1CALML3
SCHEMBL5333450 0.84 MAOB (0.41) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7850811 0.81 MAOA (0.68) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7850808 0.81 MAOA (0.68) MAOBMAOALMNAPTGS1CALML3
SCHEMBL8111378 0.79 CALML3 (0.61) MAOBMAOALMNAPTGS1CALML3
SCHEMBL8111373 0.79 CALML3 (0.61) MAOBMAOALMNAPTGS1CALML3
SCHEMBL14540833 0.79 MAOB (0.55) MAOBMAOALMNAPTGS1CALML3
SCHEMBL14541193 0.78 MAOB (0.49) MAOBMAOALMNAPTGS1CALML3

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-2007040326-A1 A NOVEL OXAZOLIDINONE FORMAMIDE DERIVATIVE AND PREPARATION METHOD THEROF ILDONG PHARMACEUTICAL CO., LTD (KR) 2007-04-12 WO disclosed