Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK2 | O43353 | 1/20 | 0.50 |
| ▸ | MAPK14 | Q16539 | 10/20 | 0.41 |
| ▸ | MAPK11 | Q15759 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | LOX | P28300 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4692885 | 0.93 | MAPK14 (0.44) | RIPK2MAPK14RAB9ALMNASMN1; SMN2 | |
| SCHEMBL4692257 | 0.82 | PDK1 (0.43) | MAPK14MAPK11ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL4694271 | 0.81 | KDM4E (0.39) | ALDH1A1LMNASMN1; SMN2POLB | |
| SCHEMBL4690551 | 0.81 | MAPK14 (0.41) | RIPK2MAPK14MAPK11HPGDALDH1A1 | |
| SCHEMBL4694455 | 0.81 | CHRNB2 (0.44) | HPGDALDH1A1SMN1; SMN2 | |
| SCHEMBL4690864 | 0.80 | RIPK2 (0.40) | RIPK2MAPK14MAPK11HPGDRAB9A | |
| SCHEMBL4689903 | 0.80 | P2RX7 (0.41) | MAPK14HPGDALDH1A1RAB9ALMNA | |
| SCHEMBL4694467 | 0.78 | RIPK2 (0.46) | RIPK2MAPK14MAPK11HPGDALDH1A1 | |
| SCHEMBL4694336 | 0.78 | HCRTR1 (0.36) | ALDH1A1 | |
| SCHEMBL4694289 | 0.77 | HCRTR1 (0.51) | — |
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 |