Citric Acid

Citric Acid

SCHEMBL7665179

Clc1ccc(C2=CCN(CCCCn3cncn3)CC2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.48

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
SIGMAR1 known ✓ Q99720 11/20 0.48
HTR7 known ✓ P34969 1/20 0.41
PPARG P37231 4/20 0.47
PPARA Q07869 4/20 0.47
DRD2 P14416 1/20 0.46
PARP1 P09874 1/20 0.41
HTR1A P08908 2/20 0.41

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 SCHEMBL18038518 0.91 SIGMAR1 (0.48) SIGMAR1DRD2PARP1HTR1AHTR7
SCHEMBL7664078 0.86 SIGMAR1 (0.62) SIGMAR1DRD2PARP1HTR1AHTR7
Fumaric Acid SCHEMBL7658104 0.86 SIGMAR1 (0.53) SIGMAR1PPARGPPARADRD2PARP1
Fumaric Acid SCHEMBL7658099 0.86 SIGMAR1 (0.53) SIGMAR1PPARGPPARADRD2PARP1
Hydrochloric Acid SCHEMBL7667688 0.85 SIGMAR1 (0.61) SIGMAR1DRD2PARP1HTR1A
Phosphoric Acid SCHEMBL7658559 0.85 SIGMAR1 (0.55) SIGMAR1DRD2PARP1HTR1A
Sulfuric Acid SCHEMBL7664307 0.85 SIGMAR1 (0.55) SIGMAR1PPARGPPARADRD2PARP1
SCHEMBL7667644 0.83 SIGMAR1 (0.53) SIGMAR1PPARGPPARADRD2PARP1
SCHEMBL5846461 0.80 SIGMAR1 (0.44) SIGMAR1PPARGPPARADRD2PARP1
SCHEMBL5846061 0.78 SIGMAR1 (0.60) SIGMAR1DRD2PARP1HTR1A

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-6355659-B1 TREATING PSYCHOSIS AND DEMENTIA BY ADMINISTERING LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2002-03-12 US claimed
US-6355659-B1 TREATING PSYCHOSIS AND DEMENTIA BY ADMINISTERING LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2002-03-12 US disclosed