Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | CCR5 | P51681 | 3/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.38 |
| ▸ | CCL5 | P13501 | 3/20 | 0.38 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4689975 | 0.92 | KDM4E (0.50) | KDM4EALDH1A1SMN1; SMN2MAPTPOLB | |
| SCHEMBL4691733 | 0.91 | KMT2A (0.45) | KDM4EALDH1A1SMN1; SMN2MAPTPOLB | |
| SCHEMBL4692260 | 0.90 | PDK1 (0.45) | KDM4EALDH1A1SMN1; SMN2MAPTPOLB | |
| SCHEMBL4694276 | 0.89 | KDM4E (0.44) | KDM4EALDH1A1SMN1; SMN2MAPTPOLB | |
| SCHEMBL4690555 | 0.88 | MAPK14 (0.52) | ALDH1A1SMN1; SMN2MAPTPOLBMAPK14 | |
| SCHEMBL4691837 | 0.87 | MAPK14 (0.40) | KDM4EALDH1A1MAPTMAPK14CCR5 | |
| SCHEMBL4691592 | 0.85 | PDK1 (0.41) | KDM4EALDH1A1SMN1; SMN2MAPTPOLB | |
| SCHEMBL4691588 | 0.85 | PDK1 (0.41) | KDM4EALDH1A1SMN1; SMN2MAPTPOLB | |
| SCHEMBL4695680 | 0.81 | CCR5 (0.45) | CCR5 | |
| SCHEMBL4690865 | 0.80 | CCR5 (0.46) | ALDH1A1MAPTCCR5CCL5HPGD |
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 |