Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.47 |
| ▸ | CCR5 | P51681 | 10/20 | 0.46 |
| ▸ | CCL5 | P13501 | 4/20 | 0.42 |
| ▸ | RBP4 | P02753 | 2/20 | 0.41 |
| ▸ | SCD | O00767 | 2/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4695175 | 0.85 | CCR5 (0.47) | CCR5CCL5RBP4 | |
| SCHEMBL4690615 | 0.84 | HCRTR1 (0.52) | CCR5CCL5MGLL | |
| SCHEMBL4689905 | 0.83 | CCR5 (0.52) | CYP2C9CYP2C19HTR2BMAPK14CCR5 | |
| SCHEMBL4695158 | 0.83 | CCR5 (0.55) | CCR5CCL5 | |
| SCHEMBL4694458 | 0.81 | CCR5 (0.53) | CCR5CCL5 | |
| SCHEMBL4694311 | 0.81 | CCL5 (0.44) | CCR5CCL5 | |
| SCHEMBL4691786 | 0.81 | HCRTR1 (0.52) | CCR5CCL5 | |
| SCHEMBL4693261 | 0.80 | HCRTR1 (0.51) | CYP2C9CYP2C19MAPK14CCR5 | |
| SCHEMBL4691742 | 0.80 | CCR5 (0.45) | CCR5CCL5 | |
| SCHEMBL4690351 | 0.80 | CCR5 (0.55) | CCR5CCL5 |
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 |