Nitric Acid

Nitric Acid

SCHEMBL9874960

O=[N+]([O-])O.OCCC1c2ccccc2C=Cc2ccccc21

nearest known ligand 0.49

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
HTR2A P28223 2/20 0.46
KDM4E B2RXH2 3/20 0.45
CYP2D6 P10635 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CHRM2 P08172 1/20 0.45
CYP3A4 P08684 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD2 P14416 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
NFKB1 P19838 1/20 0.45
CHRM3 P20309 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2C P28335 1/20 0.45
ADRA1A P35348 1/20 0.45
HRH1 P35367 1/20 0.45
DRD3 P35462 1/20 0.45
THPO P40225 1/20 0.45
OPRK1 P41145 1/20 0.45

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
SCHEMBL3874745 0.77 HTR2A (0.61) HTR2AKDM4ECYP2D6LMNATP53
SCHEMBL8957419 0.77 HTR2A (0.46) HTR2AKDM4ECYP2D6LMNATP53
SCHEMBL9205280 0.72 HTR2A (0.61) HTR2AKDM4ECYP2D6LMNATP53
SCHEMBL8256345 0.69 HTR2A (0.69) HTR2AKDM4ECYP2D6LMNATP53
SCHEMBL2231461 0.68 TDO2 (0.61) HTR2AKDM4ECYP2D6LMNATP53
SCHEMBL30413587 0.68 TDO2 (0.61) HTR2AKDM4ECYP2D6LMNATP53
SCHEMBL13393720 0.67 HTR2A (0.49) HTR2AKDM4ECYP2D6LMNATP53
SCHEMBL13248564 0.66 HTR2A (0.57) HTR2AKDM4ECYP2D6LMNATP53
SCHEMBL11430690 0.66 HTR2A (0.61) HTR2AKDM4ECYP2D6LMNATP53
SCHEMBL11726371 0.66 HTR2A (0.64) HTR2AKDM4ECYP2D6LMNATP53

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-5049694-A Cardiovascular disorders CEDONA PHARMACEUTICALS B.V. (NL) 1991-09-17 US disclosed
EP-0359335-A2 Pharmaceutical composition having relaxing activity which contains a nitrate ester as active substance CEDONA PHARMACEUTICALS B.V. (NL) 1990-03-21 EP disclosed