Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 19/20 | 0.77 |
| ▸ | CCL5 | P13501 | 3/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL4001308 | 0.90 | CCR5 (0.70) | CCR5CCL5 | |
| SCHEMBL3276590 | 0.89 | CCR5 (0.83) | CCR5CCL5KCNH2 | |
| SCHEMBL3272887 | 0.89 | CCR5 (0.83) | CCR5CCL5KCNH2 | |
| SCHEMBL3998249 | 0.89 | CCR5 (0.78) | CCR5CCL5KCNH2 | |
| SCHEMBL3999406 | 0.89 | CCR5 (0.78) | CCR5CCL5KCNH2 | |
| SCHEMBL3270269 | 0.87 | CCR5 (0.80) | CCR5CCL5KCNH2 | |
| SCHEMBL3271209 | 0.87 | CCR5 (0.80) | CCR5CCL5KCNH2 | |
| SCHEMBL3271875 | 0.87 | CCR5 (1.00) | CCR5CCL5KCNH2 | |
| SCHEMBL3271641 | 0.87 | CCR5 (1.00) | CCR5CCL5KCNH2 | |
| SCHEMBL3271289 | 0.87 | CCR5 (0.80) | CCR5CCL5KCNH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2066674-A1 | OCTAHYDROPYRROLO [3, 4-C] PYRROLE DERIVATIVES AND THEIR USE AS ANTIVIRAL AGENTS | F.HOFFMANN-LA ROCHE AG (CH) | 2009-06-10 | — | — | EP | claimed |
| WO-2008034731-A1 | OCTAHYDROPYRROLO [3, 4-C] PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-03-27 | — | — | WO | claimed |