Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8050880 | 0.90 | DGKA (0.38) | ALDH1A1NLRP3CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8050332 | 0.88 | CYP2C19 (0.32) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1813544 | 0.84 | CYP3A4 (0.44) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7938010 | 0.83 | MAOB (0.30) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8051588 | 0.82 | NLRP3 (0.32) | ALDH1A1NLRP3 | |
| SCHEMBL8052210 | 0.80 | — | — | |
| SCHEMBL8049998 | 0.77 | NAAA (0.36) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7753713 | 0.74 | NAAA (0.40) | ALDH1A1NLRP3KMT2A | |
| SCHEMBL8051064 | 0.73 | ALDH1A1 (0.36) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8057189 | 0.72 | DGKA (0.36) | ALDH1A1NLRP3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0995740-A1 | NOVEL NITROXYL COMPOUNDS AND DRUGS AND REAGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | DAIICHI RADIOISOTOPE LABORATORIES, LTD. (JP) | 2000-04-26 | — | — | EP | disclosed |