Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 14/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 14/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 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 | |
|---|---|---|---|---|
| SCHEMBL4690142 | 0.88 | MAPK14 (0.41) | HCRTR1HCRTR2ALDH1A1 | |
| SCHEMBL4691933 | 0.87 | ALDH1A1 (0.42) | HCRTR1HCRTR2KDM4EALDH1A1MAPT | |
| SCHEMBL4691732 | 0.84 | KDM4E (0.43) | HCRTR1HCRTR2KDM4EALDH1A1MAPT | |
| SCHEMBL4693258 | 0.81 | HCRTR1 (0.41) | HCRTR1HCRTR2POLBLMNACCR5 | |
| SCHEMBL4691837 | 0.77 | MAPK14 (0.40) | HCRTR1HCRTR2KDM4EALDH1A1MAPT | |
| SCHEMBL4690551 | 0.77 | MAPK14 (0.41) | ALDH1A1POLBSMN1; SMN2LMNA | |
| SCHEMBL4692257 | 0.76 | PDK1 (0.43) | HCRTR1HCRTR2KDM4EALDH1A1MAPT | |
| SCHEMBL4690864 | 0.76 | RIPK2 (0.40) | HCRTR1HCRTR2 | |
| SCHEMBL4691895 | 0.75 | HCRTR1 (0.33) | HCRTR1HCRTR2CCR5 | |
| SCHEMBL4689971 | 0.74 | ALDH1A1 (0.44) | HCRTR1HCRTR2KDM4EALDH1A1MAPT |
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 |