Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 12/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 12/20 | 0.37 |
| ▸ | TNF | P01375 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.35 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.35 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4694788 | 0.92 | HCRTR1 (0.45) | HCRTR1HCRTR2TNFCCR5GAA | |
| SCHEMBL4694815 | 0.90 | HCRTR1 (0.37) | HCRTR1HCRTR2TNFDPP4DPP8 | |
| SCHEMBL4694969 | 0.88 | HCRTR1 (0.38) | HCRTR1HCRTR2TNFDPP4DPP8 | |
| SCHEMBL4694334 | 0.87 | HCRTR1 (0.43) | HCRTR1HCRTR2TNFCCR5 | |
| SCHEMBL4690403 | 0.87 | HCRTR1 (0.39) | HCRTR1HCRTR2TNFCCR5PDE4B | |
| SCHEMBL3281863 | 0.87 | HCRTR1 (0.48) | HCRTR1HCRTR2TNFCCR5 | |
| SCHEMBL4693540 | 0.86 | CCR5 (0.37) | HCRTR1HCRTR2TNFCCR5MAPT | |
| SCHEMBL4692712 | 0.86 | HCRTR1 (0.43) | HCRTR1HCRTR2TNFMAPT | |
| SCHEMBL4694375 | 0.86 | HCRTR1 (0.40) | HCRTR1HCRTR2TNFMAPT | |
| SCHEMBL4694241 | 0.86 | HCRTR1 (0.39) | HCRTR1HCRTR2CCR5GAAMAPT |
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 |