Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.48 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.46 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4692708 | 0.94 | CYP1A2 (0.49) | CYP2C9CYP2C19CYP1A2CYP3A4BLM | |
| SCHEMBL4692942 | 0.93 | CYP2C9 (0.49) | CYP2C9CYP2C19CYP1A2CYP3A4BLM | |
| SCHEMBL4694346 | 0.91 | KMT2A (0.50) | CYP2C9CYP2C19CYP1A2CYP3A4BLM | |
| SCHEMBL4693167 | 0.91 | HCRTR1 (0.50) | CYP2C9CYP2C19CYP1A2CYP3A4HCRTR1 | |
| SCHEMBL4695934 | 0.90 | HCRTR1 (0.47) | CYP2C9CYP2C19HCRTR1HCRTR2MEN1 | |
| SCHEMBL4692104 | 0.89 | HCRTR1 (0.50) | CYP2C9CYP2C19CYP1A2CYP3A4HCRTR1 | |
| SCHEMBL4693714 | 0.89 | KMT2A (0.50) | CYP2C9CYP2C19CYP1A2CYP3A4MEN1 | |
| SCHEMBL4692884 | 0.89 | LMNA (0.48) | CYP2C9CYP2C19MEN1KMT2ALMNA | |
| SCHEMBL4694082 | 0.88 | MEN1 (0.47) | CYP2C9CYP2C19CYP1A2CYP3A4MEN1 | |
| SCHEMBL4691903 | 0.88 | MEN1 (0.55) | CYP2C9CYP2C19CYP1A2CYP3A4HCRTR1 |
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 |