Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 7/20 | 0.41 |
| ▸ | CCL5 | P13501 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.41 |
| ▸ | KCNK3 | O14649 | 5/20 | 0.40 |
| ▸ | KCNK9 | Q9NPC2 | 5/20 | 0.40 |
| ▸ | PARP1 | P09874 | 4/20 | 0.39 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4693208 | 0.99 | CCR5 (0.42) | CCR5CCL5HSD11B1KCNK3KCNK9 | |
| SCHEMBL4692078 | 0.97 | CCR5 (0.40) | CCR5CCL5HSD11B1KCNK3KCNK9 | |
| SCHEMBL4693059 | 0.95 | CCR5 (0.37) | CCR5CCL5KCNK3KCNK9PARP1 | |
| SCHEMBL4696144 | 0.85 | CCR5 (0.41) | CCR5PARP1 | |
| SCHEMBL4691060 | 0.84 | CCR5 (0.41) | CCR5PARP1 | |
| SCHEMBL4689903 | 0.82 | P2RX7 (0.41) | CCR5 | |
| SCHEMBL4694455 | 0.81 | CHRNB2 (0.44) | CCR5 | |
| SCHEMBL4691474 | 0.81 | KDM4E (0.33) | CCR5PARP1 | |
| SCHEMBL4691802 | 0.80 | CCR5 (0.48) | CCR5 | |
| SCHEMBL4694234 | 0.80 | ALDH1A1 (0.41) | — |
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-B1 | OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS | HOFFMANN LA ROCHE (CH) | 2008-01-02 | — | — | EP | 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 |