Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 3/20 | 0.53 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.53 |
| ▸ | CCR5 | P51681 | 9/20 | 0.43 |
| ▸ | CCL5 | P13501 | 6/20 | 0.42 |
| ▸ | PKLR | P30613 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL4694292 | 0.86 | HCRTR1 (0.51) | HCRTR1HCRTR2CCR5CCL5 | |
| SCHEMBL4695132 | 0.86 | CCL5 (0.52) | CCR5CCL5 | |
| SCHEMBL4694311 | 0.86 | CCL5 (0.44) | CCR5CCL5 | |
| SCHEMBL4695827 | 0.83 | HCRTR1 (0.46) | HCRTR1HCRTR2CCR5CCL5 | |
| SCHEMBL4691767 | 0.81 | CHRNB2 (0.54) | CCR5CCL5 | |
| SCHEMBL4694361 | 0.80 | DPP4 (0.50) | CCR5CCL5HTR2A | |
| SCHEMBL4695158 | 0.80 | CCR5 (0.55) | HCRTR1HCRTR2CCR5CCL5 | |
| SCHEMBL4689905 | 0.80 | CCR5 (0.52) | CCR5CCL5 | |
| SCHEMBL4690351 | 0.79 | CCR5 (0.55) | HCRTR1HCRTR2CCR5CCL5 | |
| SCHEMBL4690997 | 0.79 | CCR5 (0.48) | 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 |