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 | 5/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GSR | P00390 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Nitroglycerin SCHEMBL920644 | 0.97 | PTGS2 (0.40) | PTGS2PTGS1ALDH1A1GSR | |
| Nitroglycerin SCHEMBL15421 | 0.97 | PTGS2 (0.40) | PTGS2PTGS1ALDH1A1GSR | |
| Nitroglycerin SCHEMBL28118295 | 0.95 | PTGS2 (0.40) | PTGS2PTGS1ALDH1A1GSR | |
| Nitroglycerin SCHEMBL7752036 | 0.95 | PTGS2 (0.40) | PTGS2PTGS1ALDH1A1GSR | |
| Nitroglycerin SCHEMBL27278730 | 0.95 | PTGS2 (0.40) | PTGS2PTGS1ALDH1A1GSR | |
| Nitroglycerin SCHEMBL28723109 | 0.95 | PTGS2 (0.40) | PTGS2PTGS1ALDH1A1GSR | |
| Nitroglycerin SCHEMBL10424193 | 0.95 | PTGS2 (0.40) | PTGS2PTGS1ALDH1A1GSR | |
| Nitroglycerin SCHEMBL7752031 | 0.95 | PTGS2 (0.40) | PTGS2PTGS1ALDH1A1GSR | |
| Nitroglycerin SCHEMBL3640991 | 0.95 | PTGS2 (0.40) | PTGS2PTGS1ALDH1A1GSR | |
| Nitroglycerin SCHEMBL5490103 | 0.93 | PTGS2 (0.39) | PTGS2PTGS1ALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9511016-B2 | Topical composition for treating pain | EPICENTRX, INC. (US) | 2016-12-06 | — | — | US | disclosed |
| EP-2164476-A1 | TOPICAL COMPOSITION FOR TREATING PAIN | Xvasive Inc. (US) | 2010-03-24 | — | — | EP | disclosed |
| WO-2008156646-A1 | TOPICAL COMPOSITION FOR TREATING PAIN | XVASIVE, INC. (US) | 2008-12-24 | — | — | WO | disclosed |
| US-20080311167-A1 | Topical Composition for Treating Pain | EPICENTRX, INC. | 2008-12-18 | — | — | US | disclosed |
| US-20080311217-A1 | TOPICIAL COMPOSITION FOR TREATING PAIN | COMGENRX, INC. | 2008-12-18 | — | — | US | disclosed |
| US-20080311218-A1 | TOPICAL COMPOSITION FOR TREATING PAIN | COMGENRX, INC. | 2008-12-18 | — | — | US | disclosed |
| US-20080312583-A1 | TOPICAL COMPOSITION FOR TREATING PAIN | XVASIVE, INC. | 2008-12-18 | — | — | US | disclosed |