Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 19/20 | 0.53 |
| ▸ | MLNR | O43193 | 1/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CTSD | P07339 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4691513 | 0.92 | CCR5 (0.55) | CCR5MLNRABCB11LMNACTSD | |
| SCHEMBL4695445 | 0.89 | CCR5 (0.55) | CCR5MLNRABCB11LMNACTSD | |
| SCHEMBL4691856 | 0.88 | CCR5 (0.54) | CCR5MLNRABCB11LMNACTSD | |
| SCHEMBL4690138 | 0.88 | CCR5 (0.51) | CCR5MLNRABCB11LMNACTSD | |
| SCHEMBL4691365 | 0.87 | CCR5 (0.52) | CCR5MLNRABCB11LMNACTSD | |
| SCHEMBL4696272 | 0.86 | CCR5 (0.58) | CCR5 | |
| SCHEMBL4695329 | 0.86 | CCR5 (0.56) | CCR5 | |
| SCHEMBL4695834 | 0.85 | CCR5 (0.59) | CCR5 | |
| SCHEMBL4692796 | 0.85 | CCR5 (0.53) | CCR5MLNRABCB11LMNACTSD | |
| SCHEMBL4692521 | 0.84 | CCR5 (0.54) | CCR5 |
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 1 patent. 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 |