Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 18/20 | 0.81 |
| ▸ | CCL5 | P13501 | 4/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL13326712 | 1.00 | CCR5 (0.81) | CCR5CCL5KCNH2 | |
| SCHEMBL30227416 | 0.92 | CCR5 (0.80) | CCR5CCL5KCNH2 | |
| SCHEMBL5422017 | 0.91 | CCR5 (0.82) | CCR5 | |
| SCHEMBL13326700 | 0.91 | CCR5 (0.82) | CCR5 | |
| Cyclopentane SCHEMBL4693960 | 0.86 | CCR5 (0.80) | CCR5CCL5KCNH2 | |
| SCHEMBL4978839 | 0.85 | CCR5 (0.65) | CCR5CCL5KCNH2 | |
| SCHEMBL30227485 | 0.85 | CCR5 (0.73) | CCR5CCL5KCNH2 | |
| SCHEMBL30227516 | 0.84 | CCR5 (0.68) | CCR5 | |
| SCHEMBL14448125 | 0.82 | CCR5 (0.72) | CCR5CCL5KCNH2 | |
| SCHEMBL13326710 | 0.82 | CCR5 (0.72) | 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-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 |