Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 10/20 | 0.46 |
| ▸ | SPR | P35270 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | EIF4A3 | P38919 | 1/20 | 0.44 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.43 |
| ▸ | SLC9A2 | Q9UBY0 | 1/20 | 0.43 |
| ▸ | CCL5 | P13501 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4694250 | 0.95 | CCR5 (0.44) | CCR5SPRALDH1A1MAPTNPSR1 | |
| SCHEMBL4693317 | 0.94 | EIF4A3 (0.49) | CCR5SPRALDH1A1MAPTNPSR1 | |
| SCHEMBL4694467 | 0.89 | RIPK2 (0.46) | CCR5ALDH1A1CCL5HPGD | |
| SCHEMBL4689975 | 0.86 | KDM4E (0.50) | CCR5ALDH1A1MAPTCCL5 | |
| SCHEMBL4691733 | 0.84 | KMT2A (0.45) | CCR5ALDH1A1MAPTCCL5 | |
| SCHEMBL4692888 | 0.83 | MAPK14 (0.49) | — | |
| SCHEMBL4690555 | 0.83 | MAPK14 (0.52) | CCR5ALDH1A1MAPTCCL5HPGD | |
| SCHEMBL4695158 | 0.81 | CCR5 (0.55) | CCR5MAPTNPSR1CCL5 | |
| SCHEMBL4692260 | 0.81 | PDK1 (0.45) | CCR5ALDH1A1MAPTCCL5 | |
| SCHEMBL3282872 | 0.81 | DRD2 (0.36) | CCR5ALDH1A1MAPTMAPK1SLC9A1 |
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 |