Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK2 | O43353 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CCR5 | P51681 | 7/20 | 0.41 |
| ▸ | MAPK11 | Q15759 | 4/20 | 0.40 |
| ▸ | CCL5 | P13501 | 5/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4692888 | 0.93 | MAPK14 (0.49) | RIPK2MAPK14MAPK11 | |
| SCHEMBL4690555 | 0.91 | MAPK14 (0.52) | RIPK2MAPK14ALDH1A1HPGDPOLB | |
| SCHEMBL4690865 | 0.89 | CCR5 (0.46) | ALDH1A1HPGDCCR5CCL5 | |
| SCHEMBL4689975 | 0.87 | KDM4E (0.50) | MAPK14ALDH1A1POLBCCR5MAPK11 | |
| SCHEMBL4690143 | 0.85 | MAPK14 (0.52) | MAPK14ALDH1A1CCR5CCL5 | |
| SCHEMBL4694250 | 0.85 | CCR5 (0.44) | ALDH1A1CCR5CCL5NPC1RAB9A | |
| SCHEMBL4693317 | 0.83 | EIF4A3 (0.49) | ALDH1A1CCR5CCL5NPC1RAB9A | |
| SCHEMBL4692260 | 0.82 | PDK1 (0.45) | MAPK14ALDH1A1POLBCCR5CCL5 | |
| SCHEMBL4694276 | 0.81 | KDM4E (0.44) | ALDH1A1POLBCCR5CCL5 | |
| SCHEMBL4691733 | 0.81 | KMT2A (0.45) | ALDH1A1POLBCCR5CCL5 |
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 |