Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 4/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | HRH2 | P25021 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4694328 | 0.84 | TNF (0.35) | TNFALDH1A1HCRTR1HCRTR2CHRM2 | |
| SCHEMBL4694334 | 0.83 | HCRTR1 (0.43) | TNFHCRTR1HCRTR2CCR5 | |
| SCHEMBL4690403 | 0.83 | HCRTR1 (0.39) | TNFALDH1A1HCRTR1HCRTR2S1PR1 | |
| SCHEMBL3281863 | 0.83 | HCRTR1 (0.48) | TNFHCRTR1HCRTR2CCR5 | |
| SCHEMBL4694248 | 0.83 | ALDH1A1 (0.39) | TNFALDH1A1HCRTR1HCRTR2S1PR1 | |
| SCHEMBL4695972 | 0.83 | CHRNB2 (0.40) | TNFALDH1A1HCRTR1HCRTR2KMT2A | |
| SCHEMBL4692886 | 0.83 | ALDH1A1 (0.42) | TNFALDH1A1HCRTR1HCRTR2MEN1 | |
| SCHEMBL4695935 | 0.83 | HCRTR2 (0.47) | TNFALDH1A1HCRTR1HCRTR2 | |
| SCHEMBL4691604 | 0.83 | GFER (0.42) | TNFHCRTR1HCRTR2CHRM2MEN1 | |
| SCHEMBL4692864 | 0.82 | TNF (0.35) | TNFALDH1A1HCRTR1HCRTR2HTR1A |
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 |