Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | WRN | Q14191 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL8050332 | 0.89 | CYP2C19 (0.32) | NAAAGAACYP2C19CYP3A4CYP2D6 | |
| SCHEMBL8050880 | 0.88 | DGKA (0.38) | KDM4ECYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8051064 | 0.84 | ALDH1A1 (0.36) | GAACYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8054153 | 0.82 | NAAA (0.34) | NAAAGAAKDM4E | |
| SCHEMBL1813544 | 0.82 | CYP3A4 (0.44) | CYP2C19CYP3A4CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL8039672 | 0.77 | ALDH1A1 (0.33) | CYP2C19CYP3A4CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL7938010 | 0.74 | MAOB (0.30) | CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL16710259 | 0.72 | GAA (0.33) | GAAKDM4ECYP2C19CYP3A4CYP2D6 | |
| SCHEMBL1814694 | 0.72 | BRD4 (0.39) | GAAKDM4EALDH1A1 | |
| SCHEMBL8052210 | 0.72 | — | — |
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 |