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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | 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 SCHEMBL7608168 | 0.96 | PTGS2 (0.42) | PTGS2PTGS1TDP1GSR | |
| Nitroglycerin SCHEMBL6741913 | 0.88 | PTGS2 (0.36) | PTGS2PTGS1GSR | |
| Nitroglycerin SCHEMBL9154265 | 0.87 | PTGS2 (0.41) | PTGS2PTGS1GSR | |
| Nitroglycerin SCHEMBL7262020 | 0.87 | PTGS2 (0.41) | PTGS2PTGS1GSR | |
| Nitroglycerin SCHEMBL1746747 | 0.86 | PTGS2 (0.36) | PTGS2PTGS1GSR | |
| Nitroglycerin SCHEMBL9348180 | 0.84 | PTGS2 (0.38) | PTGS2PTGS1GSR | |
| Nitroglycerin SCHEMBL7495309 | 0.83 | PTGS2 (0.42) | PTGS2PTGS1GSR | |
| Nitroglycerin SCHEMBL28125007 | 0.83 | PTGS2 (0.42) | PTGS2PTGS1GSR | |
| Nitroglycerin SCHEMBL10615693 | 0.82 | THRB (0.41) | PTGS2PTGS1GSR | |
| Nitroglycerin SCHEMBL3399011 | 0.81 | PTGS2 (0.38) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6682757-B1 | PATCH UNITS | EURO-CELTIQUE, S.A. (LU) | 2004-01-27 | — | — | US | disclosed |