Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 10/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | SMYD2 | Q9NRG4 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.45 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL4692633 | 0.89 | CCR5 (0.67) | CCR5SMYD2SMN1; SMN2HCRTR1HCRTR2 | |
| SCHEMBL4691509 | 0.88 | CCR5 (0.51) | CCR5SMYD2SMN1; SMN2HCRTR1HCRTR2 | |
| SCHEMBL4695602 | 0.83 | CCR5 (0.52) | CCR5SMYD2HCRTR1HCRTR2 | |
| SCHEMBL4693045 | 0.83 | CCR5 (0.54) | CCR5HCRTR1HCRTR2 | |
| SCHEMBL4691995 | 0.81 | SIGMAR1 (0.45) | CCR5SMYD2MAPTHCRTR1HCRTR2 | |
| SCHEMBL4696106 | 0.81 | LMNA (0.41) | CCR5POLBSMYD2MAPTSMN1; SMN2 | |
| SCHEMBL4692672 | 0.81 | SMYD2 (0.45) | CCR5SMYD2SMN1; SMN2DRD2ADRA1A | |
| SCHEMBL4691639 | 0.80 | SMYD2 (0.48) | CCR5SMYD2SMN1; SMN2DRD2ADRA1A | |
| SCHEMBL4691528 | 0.80 | CCR5 (0.52) | CCR5DRD3 | |
| SCHEMBL4691761 | 0.80 | SLC6A2 (0.44) | SMYD2SMN1; SMN2DRD2ADRA1ADRD3 |
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 4 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-A2 | OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-03-14 | — | — | EP | claimed |
| WO-2005121145-A2 | OCTAHYDRO-PYRROLO[3,4-C] DERIVATIVES AND THEIR USE AS ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-12-22 | — | — | WO | 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 |