Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 6/20 | 0.51 |
| ▸ | HCRTR2 | O43614 | 6/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.47 |
| ▸ | CCR5 | P51681 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.46 |
| ▸ | KCNK9 | Q9NPC2 | 2/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4695959 | 0.88 | HCRTR2 (0.53) | HCRTR1HCRTR2GAACCR5KCNK3 | |
| SCHEMBL4691899 | 0.88 | CCR5 (0.43) | HCRTR1HCRTR2CCR5 | |
| SCHEMBL4694065 | 0.86 | CCR5 (0.52) | HCRTR1HCRTR2CCR5 | |
| SCHEMBL4690615 | 0.86 | HCRTR1 (0.52) | HCRTR1HCRTR2CCR5 | |
| SCHEMBL4695358 | 0.86 | GAA (0.57) | HCRTR1HCRTR2GAAALDH1A1KDM4E | |
| SCHEMBL4695158 | 0.85 | CCR5 (0.55) | HCRTR1HCRTR2CCR5 | |
| SCHEMBL4695827 | 0.85 | HCRTR1 (0.46) | HCRTR1HCRTR2GAAALDH1A1CCR5 | |
| SCHEMBL4690598 | 0.84 | CCR5 (0.55) | HCRTR1HCRTR2CCR5 | |
| SCHEMBL4690143 | 0.83 | MAPK14 (0.52) | HCRTR1HCRTR2ALDH1A1MAPK14CCR5 | |
| SCHEMBL4689905 | 0.83 | CCR5 (0.52) | POLBCYP2C9CYP2C19MAPK14CCR5 |
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-1761542-B1 | OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS | HOFFMANN LA ROCHE (CH) | 2008-01-02 | — | — | EP | claimed |
| EP-1761542-B1 | OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS | HOFFMANN LA ROCHE (CH) | 2008-01-02 | — | — | EP | disclosed |