Nitric Acid

Nitric Acid

SCHEMBL7438759

CCCC(C(C)=O)C(=O)O.O=[N+]([O-])O

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ERG11

The experimentally established mechanism targets of Nitric 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
CHRM1 P11229 1/20 0.43
AKR1A1 P14550 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
NFKB1 P19838 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GRIK1 P39086 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34

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
SCHEMBL223020 0.87 CHRM1 (0.55) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL11587400 0.87 CHRM1 (0.55) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5269712 0.84 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL705641 0.84 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8135518 0.84 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28484976 0.84 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
Acetic Acid SCHEMBL8565565 0.82 CHRM1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
Acetic Acid SCHEMBL28878305 0.79 CHRM1 (0.57) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL31607 0.79 HDAC1 (0.63) CHRM1AKR1A1CHRM3HTR2AHTR2C
Valproic Acid SCHEMBL29041007 0.78 CHRM1 (0.73) CHRM1AKR1A1CHRM3HTR2AHTR2C

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
EP-0168789-A2 Method for preparing unsymmetrical 1,4-dihydropyridine-3,5-dicarboxylic acid diesters TAISHO PHARMACEUTICAL CO. LTD (JP) 1986-01-22 EP disclosed
EP-0092936-A1 1,4-Dihydropyridine derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1983-11-02 EP disclosed