Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 4/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.42 |
| ▸ | CCL5 | P13501 | 10/20 | 0.42 |
| ▸ | CCR5 | P51681 | 10/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5230893 | 0.95 | HCRTR1 (0.41) | HCRTR1HCRTR2CCL5CCR5KCNH2 | |
| SCHEMBL5235800 | 0.89 | HCRTR1 (0.44) | HCRTR1HCRTR2CCR5KCNH2 | |
| SCHEMBL4692413 | 0.88 | HCRTR1 (0.53) | HCRTR1HCRTR2CCR5KCNH2 | |
| SCHEMBL4696692 | 0.87 | HCRTR1 (0.42) | HCRTR1HCRTR2KCNH2 | |
| SCHEMBL4809142 | 0.87 | HCRTR1 (0.41) | HCRTR1HCRTR2CCL5KCNH2 | |
| SCHEMBL4698184 | 0.87 | HCRTR1 (0.46) | HCRTR1HCRTR2 | |
| SCHEMBL5234333 | 0.86 | HCRTR1 (0.41) | HCRTR1HCRTR2CCR5 | |
| SCHEMBL5231609 | 0.85 | SMN1; SMN2 (0.48) | HCRTR1HCRTR2CCR5 | |
| SCHEMBL5238002 | 0.84 | HCRTR1 (0.47) | HCRTR1HCRTR2 | |
| SCHEMBL5236658 | 0.84 | HCRTR1 (0.40) | HCRTR1HCRTR2CCR5KCNH2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1987035-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-11-05 | — | — | EP | claimed |
| WO-2007093515-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN LA-ROCHE AG (CH) | 2007-08-23 | — | — | WO | 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-1987035-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-11-05 | — | — | EP | disclosed |
| WO-2007093515-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN LA-ROCHE AG (CH) | 2007-08-23 | — | — | WO | disclosed |
| 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 | disclosed |
| 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 | disclosed |