Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 2/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 7/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | HPGDS | O60760 | 1/20 | 0.32 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4695830 | 0.86 | KDM5A (0.35) | TNFHCRTR1HCRTR2HRH4HRH3 | |
| SCHEMBL3281863 | 0.85 | HCRTR1 (0.48) | TNFHCRTR1HCRTR2CCR5 | |
| SCHEMBL4694530 | 0.85 | DRD3 (0.49) | HCRTR1HRH4HRH3DRD3 | |
| SCHEMBL4692886 | 0.85 | ALDH1A1 (0.42) | TNFHCRTR1HCRTR2CCR5 | |
| SCHEMBL4694224 | 0.84 | TNF (0.39) | TNFHCRTR1HCRTR2CCR5 | |
| SCHEMBL4693484 | 0.84 | HCRTR1 (0.48) | TNFHCRTR1HCRTR2CCR5S1PR1 | |
| SCHEMBL4694334 | 0.83 | HCRTR1 (0.43) | TNFHCRTR1HCRTR2CCR5 | |
| SCHEMBL4690403 | 0.83 | HCRTR1 (0.39) | TNFHCRTR1HCRTR2HRH4CCR5 | |
| SCHEMBL4694354 | 0.83 | P2RX7 (0.44) | TNFHCRTR1HCRTR2 | |
| SCHEMBL4694788 | 0.83 | HCRTR1 (0.45) | TNFHCRTR1HCRTR2CCR5 |
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 |