Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 8/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 8/20 | 0.39 |
| ▸ | TNF | P01375 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 5/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4694334 | 0.94 | HCRTR1 (0.43) | HCRTR1HCRTR2TNFCCR5TACR1 | |
| SCHEMBL4693010 | 0.91 | HCRTR1 (0.36) | HCRTR1HCRTR2TNFCCR5TACR1 | |
| SCHEMBL3281863 | 0.90 | HCRTR1 (0.48) | HCRTR1HCRTR2TNFCCR5 | |
| SCHEMBL4695961 | 0.90 | HCRTR1 (0.36) | HCRTR1HCRTR2TNFCCR5 | |
| SCHEMBL3283594 | 0.87 | CCL5 (0.43) | CCR5 | |
| SCHEMBL4694815 | 0.87 | HCRTR1 (0.37) | HCRTR1HCRTR2TNFCCR5PDE4B | |
| SCHEMBL4694788 | 0.87 | HCRTR1 (0.45) | HCRTR1HCRTR2TNFCCR5 | |
| SCHEMBL4695935 | 0.87 | HCRTR2 (0.47) | HCRTR1HCRTR2TNFHPGDALDH1A1 | |
| SCHEMBL4694763 | 0.87 | HCRTR1 (0.37) | HCRTR1HCRTR2TNFCCR5PDE4B | |
| SCHEMBL4695956 | 0.87 | HCRTR1 (0.37) | HCRTR1HCRTR2TNFCCR5S1PR1 |
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 |