Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 8/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 8/20 | 0.37 |
| ▸ | CCR5 | P51681 | 5/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | TNF | P01375 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | CCL5 | P13501 | 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 | |
|---|---|---|---|---|
| SCHEMBL4692108 | 0.92 | HCRTR1 (0.40) | HCRTR1HCRTR2CCR5CHRM2TNF | |
| SCHEMBL4695972 | 0.89 | CHRNB2 (0.40) | HCRTR1HCRTR2NPC1TNF | |
| SCHEMBL3283594 | 0.85 | CCL5 (0.43) | CCR5KCNH2CCL5 | |
| SCHEMBL3282223 | 0.84 | CCR5 (0.43) | HCRTR1HCRTR2CCR5CHRM2CCL5 | |
| SCHEMBL4693079 | 0.82 | HCRTR1 (0.38) | HCRTR1HCRTR2CCR5PDE4BTNF | |
| SCHEMBL3281863 | 0.82 | HCRTR1 (0.48) | HCRTR1HCRTR2CCR5TNFKCNH2 | |
| SCHEMBL4690403 | 0.82 | HCRTR1 (0.39) | HCRTR1HCRTR2CCR5PDE4BTNF | |
| SCHEMBL4694334 | 0.82 | HCRTR1 (0.43) | HCRTR1HCRTR2CCR5TNFCCL5 | |
| SCHEMBL4693625 | 0.82 | HCRTR1 (0.37) | HCRTR1HCRTR2DPP4TNF | |
| SCHEMBL4691396 | 0.82 | HCRTR1 (0.39) | HCRTR1HCRTR2DPP4TNF |
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 |