Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.68 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Pentrinitrol SCHEMBL15777772 | 0.98 | ALDH1A1 (0.71) | ALDH1A1LMNATP53CYP3A4MAPK1 | |
| Pentrinitrol SCHEMBL122322 | 0.98 | ALDH1A1 (0.71) | ALDH1A1LMNATP53CYP3A4MAPK1 | |
| Pentaerythrityl Mononitrate SCHEMBL2293171 | 0.93 | ALDH1A1 (0.71) | ALDH1A1LMNATP53CYP3A4MAPK1 | |
| Pentaerythrityl Dinitrate SCHEMBL2290461 | 0.93 | ALDH1A1 (0.71) | ALDH1A1LMNATP53CYP3A4MAPK1 | |
| Pentaerythrityl Dinitrate SCHEMBL2962484 | 0.88 | ALDH1A1 (0.65) | ALDH1A1LMNA | |
| Pentaerythrityl Dinitrate SCHEMBL6270893 | 0.88 | ALDH1A1 (0.65) | ALDH1A1LMNA | |
| SCHEMBL17482168 | 0.85 | ALDH1A1 (0.60) | ALDH1A1LMNA | |
| SCHEMBL7559992 | 0.85 | ALDH1A1 (0.60) | ALDH1A1LMNA | |
| Pentrinitrol SCHEMBL17476701 | 0.84 | ALDH1A1 (0.54) | ALDH1A1LMNA | |
| Pentrinitrol SCHEMBL11755093 | 0.84 | ALDH1A1 (0.54) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2014284-A1 | Pharmaceutical compositions and uses | Novartis AG (CH) | 2009-01-14 | — | — | EP | disclosed |
| WO-2008156645-A2 | PHARMACEUTICAL COMPOSITIONS AND USES | NOVARTIS AG (CH) | 2008-12-24 | — | — | WO | disclosed |