Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 19/20 | 0.80 |
| ▸ | CCL5 | P13501 | 3/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL4691586 | 1.00 | CCR5 (0.80) | CCR5CCL5KCNH2 | |
| SCHEMBL4695022 | 0.94 | CCR5 (0.73) | CCR5CCL5 | |
| SCHEMBL4695024 | 0.94 | CCR5 (0.73) | CCR5CCL5 | |
| SCHEMBL4691321 | 0.89 | CCR5 (1.00) | CCR5 | |
| SCHEMBL4691322 | 0.89 | CCR5 (1.00) | CCR5 | |
| SCHEMBL4694720 | 0.87 | CCR5 (0.61) | CCR5CCL5KCNH2 | |
| SCHEMBL4694717 | 0.87 | CCR5 (0.61) | CCR5CCL5KCNH2 | |
| SCHEMBL4694689 | 0.87 | CCR5 (0.68) | CCR5 | |
| SCHEMBL4691492 | 0.84 | CCR5 (0.58) | CCR5CCL5KCNH2 | |
| SCHEMBL14440793 | 0.83 | CCR5 (0.61) | 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-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 |