Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 1/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.46 |
| ▸ | CCR5 | P51681 | 3/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4694467 | 0.91 | RIPK2 (0.46) | MAPK14CCR5ALDH1A1HPGDNPC1 | |
| SCHEMBL4692888 | 0.89 | MAPK14 (0.49) | MAPK14PTPN1RIPK2 | |
| SCHEMBL4691935 | 0.88 | KDM4E (0.42) | MAPK14CCR5ADRB1HTR2AHTR2B | |
| SCHEMBL4690143 | 0.86 | MAPK14 (0.52) | MAPK14CCR5HTR2BALDH1A1MAPT | |
| SCHEMBL4690865 | 0.83 | CCR5 (0.46) | CCR5ALDH1A1HPGDMAPTCCL5 | |
| SCHEMBL4694250 | 0.82 | CCR5 (0.44) | CCR5ALDH1A1NPC1RAB9AMAPT | |
| SCHEMBL4690501 | 0.81 | TSHR (0.49) | CCR5ADRB1HTR2AHTR2BSIGMAR1 | |
| SCHEMBL4693317 | 0.81 | EIF4A3 (0.49) | CCR5ALDH1A1NPC1RAB9AMAPT | |
| SCHEMBL4696351 | 0.80 | CCR5 (0.47) | MAPK14CCR5 | |
| SCHEMBL4691733 | 0.79 | KMT2A (0.45) | CCR5ALDH1A1SMN1; SMN2MAPTCCL5 |
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 |