Nitric Acid

Nitric Acid

SCHEMBL4093043

O=[N+]([O-])O.O=[N+]([O-])O.OCC(O)CBr

nearest known ligand 0.40

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 11)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
LMNA P02545 3/20 0.38
ALDH1A1 P00352 3/20 0.38
THRB P10828 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
Glycerin SCHEMBL28512738 0.84 LMNA (0.56) CA5ACA5BLMNAALDH1A1THRB
Glycerin SCHEMBL7035160 0.84 LMNA (0.56) CA5ACA5BLMNAALDH1A1THRB
Glycerin SCHEMBL2220986 0.84 LMNA (0.56) CA5ACA5BLMNAALDH1A1THRB
Glycerin SCHEMBL854170 0.84 LMNA (0.56) CA5ACA5BLMNAALDH1A1THRB
Glycerin SCHEMBL124052 0.84 LMNA (0.56) CA5ACA5BLMNAALDH1A1THRB
Glycerin SCHEMBL8430202 0.84 LMNA (0.56) CA5ACA5BLMNAALDH1A1THRB
Glycerin SCHEMBL711997 0.84 LMNA (0.56) CA5ACA5BLMNAALDH1A1THRB
Glycerin SCHEMBL21352472 0.81 LMNA (0.53) CA5ACA5BLMNAALDH1A1THRB
Glycerin SCHEMBL21799190 0.81 LMNA (0.53) CA5ACA5BLMNAALDH1A1THRB
SCHEMBL2945693 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797100-A4 NITRATE ESTERS AND THEIR USE FOR MITIGATING CELLULAR DAMAGE UNIV KINGSTON (CA) 2009-05-13 EP disclosed
EP-1797100-A1 NITRATE ESTERS AND THEIR USE FOR MITIGATING CELLULAR DAMAGE QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-06-20 EP disclosed
WO-2006029532-A1 NITRATE ESTERS AND THEIR USE FOR MITIGATING CELLULAR DAMAGE QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-03-23 WO disclosed
US-20050137191-A1 Nitrate esters and their use for mitigating cellular damage QUEEN'S UNIVERSITY AT KINGSTON (CA) 2005-06-23 US disclosed
EP-0915842-B1 NITRATE ESTERS AND THEIR USE FOR NEUROLOGICAL CONDITIONS UNIV KINGSTON (CA) 2004-04-28 EP disclosed
EP-0915842-A1 NITRATE ESTERS AND THEIR USE FOR NEUROLOGICAL CONDITIONS Queen's University at Kingston (CA) 1999-05-19 EP disclosed
US-5883122-A NEUROPROTECTIVE AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 1999-03-16 US disclosed
WO-1997046521-A1 NITRATE ESTERS AND THEIR USE FOR NEUROLOGICAL CONDITIONS QUEEN'S UNIVERSITY AT KINGSTON (CA) 1997-12-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050137191-A1 Nitrate esters and their use for mitigating cellular damage NLN, NOS1, NOS3 CA5A 1702/4885CA5B 1479/4885LMNA 1720/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.