Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 6/20 | 0.40 |
| ▸ | HCRTR2 | O43614 | 6/20 | 0.40 |
| ▸ | CCR5 | P51681 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4693294 | 0.94 | PDE10A (0.42) | MALT1MAPTTP53ALDH1A1GAA | |
| SCHEMBL4690545 | 0.88 | KDM4E (0.41) | MALT1MAPTTP53ALDH1A1GAA | |
| SCHEMBL4690614 | 0.88 | HCRTR1 (0.42) | MALT1MAPTTP53ALDH1A1GAA | |
| SCHEMBL4691538 | 0.87 | CHRNB2 (0.44) | MAPTALDH1A1GAASMN1; SMN2KDM4E | |
| SCHEMBL4693891 | 0.87 | KDM4E (0.43) | MAPTALDH1A1GAASMN1; SMN2KDM4E | |
| SCHEMBL4693274 | 0.87 | HCRTR1 (0.50) | MALT1MAPTTP53ALDH1A1GAA | |
| SCHEMBL4689928 | 0.85 | MALT1 (0.47) | MALT1MAPTTP53ALDH1A1SMN1; SMN2 | |
| SCHEMBL4754257 | 0.85 | MALT1 (0.46) | MALT1MAPTTP53ALDH1A1GAA | |
| SCHEMBL4693141 | 0.85 | ALDH1A1 (0.45) | MAPTALDH1A1GAASMN1; SMN2KDM4E | |
| SCHEMBL4695198 | 0.85 | KDM4E (0.39) | MALT1MAPTTP53ALDH1A1GAA |
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 |