Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 4/20 | 0.44 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL3282844 | 1.00 | GRIN2B (0.44) | GRIN2BS1PR5S1PR1FUCA1ADRA1D | |
| SCHEMBL4694380 | 0.88 | FAAH (0.41) | S1PR5S1PR1KCNH2DRD2 | |
| SCHEMBL4692840 | 0.85 | PARP1 (0.40) | PARP1GAADRD2 | |
| SCHEMBL4690443 | 0.84 | GRIN2B (0.37) | GRIN2BDRD2DRD3 | |
| SCHEMBL4694455 | 0.84 | CHRNB2 (0.44) | KCNH2 | |
| SCHEMBL3284078 | 0.83 | CHRNA4 (0.39) | PARP1HRH3 | |
| SCHEMBL4694234 | 0.82 | ALDH1A1 (0.41) | — | |
| SCHEMBL4689903 | 0.82 | P2RX7 (0.41) | GAA | |
| SCHEMBL4693659 | 0.82 | CHRNB2 (0.47) | GAA | |
| SCHEMBL4693059 | 0.81 | CCR5 (0.37) | PARP1 |
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 2 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-B1 | OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS | HOFFMANN LA ROCHE (CH) | 2008-01-02 | — | — | EP | disclosed |