Citric Acid

Citric Acid

SCHEMBL11067947

COc1cccc(N2CCN(CCc3nc4ccc5ccccc5c4n3C(C)C)CC2)c1.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 11)

geneUniProtsupporting neighboursconfidence
HTR7 known ✓ P34969 6/20 0.48
HRH1 known ✓ P35367 1/20 0.42
MEN1 known ✓ O00255 1/20 0.41
HTR1A P08908 7/20 0.45
HTR2A P28223 7/20 0.45
DRD3 P35462 6/20 0.45
HTR2C P28335 5/20 0.45
DRD2 P14416 4/20 0.42
GFER P55789 2/20 0.41
KMT2A Q03164 1/20 0.41
DRD4 P21917 3/20 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
SCHEMBL10599900 0.89 HTR7 (0.49) HTR7HTR1AHTR2ADRD3HTR2C
Citric Acid SCHEMBL10604868 0.89 HTR7 (0.47) HTR7HTR1AHTR2ADRD3HTR2C
Citric Acid SCHEMBL11067205 0.82 PDE10A (0.44) HTR7HTR1AHTR2ADRD3HTR2C
SCHEMBL11361973 0.81 DRD2 (0.52) HTR7HTR1AHTR2ADRD3HTR2C
SCHEMBL10602407 0.81 HTR1A (0.44) HTR7HTR1AHTR2ADRD3DRD2
Water SCHEMBL11067600 0.80 DRD2 (0.51) HTR7HTR1AHTR2ADRD3HTR2C
SCHEMBL8272366 0.78 SIGMAR1 (0.53) HTR7HTR1AHTR2ADRD3HTR2C
SCHEMBL11066133 0.78 KCNH2 (0.49) HTR7HTR1AHTR2ADRD3HTR2C
SCHEMBL10601551 0.74 DRD4 (0.47) HTR7HTR1AHTR2ADRD3HTR2C
SCHEMBL11063411 0.72 MAPT (0.55) HTR7HTR1ADRD3DRD2GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4461894-A Naphth[1,2-d]imidazoles GRUPPO LEPETIT S.P.A. (IT) 1984-07-24 US disclosed
US-4360674-A Naphth[1,2-d]imidazoles GRUPPO LEPETIT S.P.A. (IT) 1982-11-23 US disclosed
EP-0034249-A2 New naphthimidazole and naphthoxazole derivatives, their preparation, and their use in pharmaceuticals GRUPPO LEPETIT S.P.A. (IT) 1981-08-26 EP disclosed