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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.38 |
| ▸ | GSR | P00390 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | 0.96 | PTGS2 (0.36) | PTGS2PTGS1GSRALDH1A1LMNA | |
| Nitroglycerin SCHEMBL1746747 | 0.91 | PTGS2 (0.36) | PTGS2PTGS1GSR | |
| SCHEMBL23421029 | 0.90 | PTGS2 (0.35) | PTGS2PTGS1GSR | |
| Nitroglycerin SCHEMBL7608168 | 0.87 | PTGS2 (0.42) | PTGS2PTGS1GSRALDH1A1 | |
| Nitroglycerin SCHEMBL10615693 | 0.87 | THRB (0.41) | PTGS2PTGS1GSR | |
| SCHEMBL221241 | 0.86 | GSR (0.39) | PTGS2PTGS1GSRALDH1A1 | |
| SCHEMBL220160 | 0.86 | GSR (0.39) | PTGS2PTGS1GSRALDH1A1 | |
| SCHEMBL462502 | 0.86 | GSR (0.39) | PTGS2PTGS1GSRALDH1A1 | |
| Nitroglycerin SCHEMBL15421 | 0.85 | PTGS2 (0.40) | PTGS2PTGS1GSRALDH1A1 | |
| Nitroglycerin SCHEMBL920644 | 0.85 | PTGS2 (0.40) | PTGS2PTGS1GSRALDH1A1 |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110215430-A | The nitroglycerin pharmaceutical composition of new injectable | 刘力 | 2019-09-10 | — | — | CN | disclosed |
| US-5370862-A | Container having valve assembly sealed to container with nonabsorbing sealant material | SCHWARZ PHARMA AG (DE) | 1994-12-06 | — | — | US | disclosed |