Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | UBE2M | P61081 | 1/20 | 0.42 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4691227 | 0.93 | CYP1A2 (0.46) | CYP3A4CYP2C19CYP1A2CYP2C9MEN1 | |
| SCHEMBL4690840 | 0.88 | NPY2R (0.49) | CYP3A4CYP2C19CYP1A2CYP2C9MEN1 | |
| SCHEMBL4691883 | 0.87 | BRAF (0.41) | MEN1KMT2AMAPTLMNAPOLB | |
| SCHEMBL4693167 | 0.86 | HCRTR1 (0.50) | CYP3A4CYP2C19CYP1A2CYP2C9MEN1 | |
| SCHEMBL4694236 | 0.86 | EPHX2 (0.44) | CYP3A4CYP2C19CYP1A2CYP2C9MEN1 | |
| SCHEMBL4694150 | 0.85 | NPY2R (0.51) | CYP3A4CYP2C19CYP1A2CYP2C9KMT2A | |
| SCHEMBL4695754 | 0.85 | CYP1A2 (0.46) | CYP3A4CYP2C19CYP1A2CYP2C9MEN1 | |
| SCHEMBL4692104 | 0.85 | HCRTR1 (0.50) | CYP3A4CYP2C19CYP1A2CYP2C9MEN1 | |
| SCHEMBL4693012 | 0.84 | NPY2R (0.51) | MEN1KMT2AMAPTLMNAPOLB | |
| SCHEMBL4691177 | 0.84 | NPY2R (0.43) | CYP3A4CYP2C19CYP1A2CYP2C9MEN1 |
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 |