Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Nitroglycerin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.36 |
| ▸ | GSR | P00390 | 1/20 | 0.33 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Nitroglycerin SCHEMBL6741913 | 0.95 | PTGS2 (0.36) | PTGS2PTGS1GSR | |
| Nitroglycerin SCHEMBL9348180 | 0.91 | PTGS2 (0.38) | PTGS2PTGS1GSR | |
| Nitric Acid SCHEMBL15562819 | 0.89 | CA5A (0.35) | GSR | |
| Nitric Acid SCHEMBL7262025 | 0.89 | CA5A (0.35) | GSR | |
| Nitric Acid SCHEMBL44182 | 0.89 | CA5A (0.35) | GSR | |
| Nitroglycerin SCHEMBL10615693 | 0.89 | THRB (0.41) | PTGS2PTGS1GSR | |
| SCHEMBL23421029 | 0.88 | PTGS2 (0.35) | PTGS2PTGS1GSR | |
| Nitroglycerin SCHEMBL9154265 | 0.87 | PTGS2 (0.41) | PTGS2PTGS1GSR | |
| Nitroglycerin SCHEMBL7262020 | 0.87 | PTGS2 (0.41) | PTGS2PTGS1GSR | |
| Nitroglycerin SCHEMBL6736331 | 0.86 | PTGS2 (0.41) | PTGS2PTGS1GSR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103361432-A | Primer group and kit for detecting genetic typing of human aldehyde dehydrogenase 2 (ALDH2) | TIANJIN XIUPENG BIOTECHNOLOGY DEV CO LTD | 2013-10-23 | — | — | CN | disclosed |
| US-20120095217-A1 | FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2012-04-19 | — | — | US | disclosed |
| EP-2385944-A2 | FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF | President and Fellows of Harvard College (US) | 2011-11-16 | — | — | EP | disclosed |
| US-6682757-B1 | PATCH UNITS | EURO-CELTIQUE, S.A. (LU) | 2004-01-27 | — | — | US | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120095217-A1 | FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF | FLI1, CDC73, FOS | PTGS2 4852/4885PTGS1 4850/4885GSR 3198/4885 |
“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.