Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 1/20 | 0.52 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.46 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 4/20 | 0.40 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.40 |
| ▸ | CCR5 | P51681 | 6/20 | 0.39 |
| ▸ | CCL5 | P13501 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4691837 | 0.88 | MAPK14 (0.40) | MAPK14ALDH1A1HTR1AHTR1DHTR2B | |
| SCHEMBL4690555 | 0.86 | MAPK14 (0.52) | MAPK14ALDH1A1HTR1AHTR2BCCR5 | |
| SCHEMBL4694467 | 0.85 | RIPK2 (0.46) | MAPK14ALDH1A1CCR5CCL5 | |
| SCHEMBL4693261 | 0.83 | HCRTR1 (0.51) | MAPK14ALDH1A1HCRTR1HCRTR2CCR5 | |
| SCHEMBL4692888 | 0.83 | MAPK14 (0.49) | MAPK14HCRTR1HCRTR2 | |
| SCHEMBL4690383 | 0.80 | CCR5 (0.47) | MAPK14SCN5ASCN9ACCR5 | |
| SCHEMBL4691899 | 0.80 | CCR5 (0.43) | HCRTR1HCRTR2CCR5CCL5 | |
| SCHEMBL4690865 | 0.79 | CCR5 (0.46) | ALDH1A1CCR5CCL5MAPTNPSR1 | |
| SCHEMBL4694250 | 0.77 | CCR5 (0.44) | ALDH1A1CCR5CCL5MAPTNPSR1 | |
| SCHEMBL4691935 | 0.77 | KDM4E (0.42) | MAPK14ALDH1A1HTR1AHTR2BCCR5 |
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 4 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-A2 | OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-03-14 | — | — | EP | claimed |
| WO-2005121145-A2 | OCTAHYDRO-PYRROLO[3,4-C] DERIVATIVES AND THEIR USE AS ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-12-22 | — | — | WO | 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 |