Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Pentaerythritol Tetranitrate. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.84 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Pentaerythritol Tetranitrate SCHEMBL37177 | 0.92 | ALDH1A1 (1.00) | ALDH1A1 | |
| Pentaerythritol Tetranitrate SCHEMBL920358 | 0.92 | ALDH1A1 (1.00) | ALDH1A1 | |
| Pentaerythritol Tetranitrate SCHEMBL5940085 | 0.89 | ALDH1A1 (0.94) | ALDH1A1 | |
| Pentaerythrityl Dinitrate SCHEMBL2962484 | 0.88 | ALDH1A1 (0.65) | ALDH1A1CA5ACA5B | |
| Pentaerythrityl Dinitrate SCHEMBL6270893 | 0.88 | ALDH1A1 (0.65) | ALDH1A1CA5ACA5B | |
| Pentaerythritol Tetranitrate SCHEMBL15543872 | 0.85 | ALDH1A1 (0.76) | ALDH1A1 | |
| SCHEMBL15543593 | 0.84 | ALDH1A1 (0.67) | ALDH1A1 | |
| SCHEMBL7888554 | 0.84 | ALDH1A1 (0.84) | ALDH1A1 | |
| Pentrinitrol SCHEMBL122322 | 0.82 | ALDH1A1 (0.71) | ALDH1A1 | |
| Pentaerythrityl Mononitrate SCHEMBL2293171 | 0.82 | ALDH1A1 (0.71) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012087866-A1 | DETONATOR IGNITION PROTECTION AND DETECTION CIRCUIT | DYNO NOBEL INC. (US) | 2012-06-28 | — | — | WO | disclosed |
| EP-2273983-A1 | PROCESS FOR THE PREPARATION OF AN INTERMEDIATE POWDER FORMULATION AND A FINAL SOLID DOSAGE FORM UNDER USAGE OF A SPRAY CONGEALING STEP | Grünenthal GmbH (DE) | 2011-01-19 | — | — | EP | disclosed |
| EP-2122295-A1 | DETONATOR IGNITION PROTECTION CIRCUIT | Dyno Nobel Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| EP-2122294-A1 | DETONATOR IGNITION PROTECTION CIRCUIT | Dyno Nobel Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2009135680-A1 | PROCESS FOR THE PREPARATION OF AN INTERMEDIATE POWDER FORMULATION AND A FINAL SOLID DOSAGE FORM UNDER USAGE OF A SPRAY CONGEALING STEP | Grünenthal GmbH (DE) | 2009-11-12 | — | — | WO | disclosed |
| WO-2008112234-A1 | DETONATOR IGNITION PROTECTION CIRCUIT | DYNO NOBEL INC. (US) | 2008-09-18 | — | — | WO | disclosed |
| WO-2008112235-A1 | DETONATOR IGNITION PROTECTION CIRCUIT | DYNO NOBEL INC. (US) | 2008-09-18 | — | — | WO | disclosed |