Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 4/20 | 0.41 |
| ▸ | DRD4 | P21917 | 5/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.39 |
| ▸ | GRN | P28799 | 1/20 | 0.39 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MOGAT2 | Q3SYC2 | 1/20 | 0.38 |
| ▸ | TACR1 | P25103 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CCR2 | P41597 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4689612 | 0.83 | PKM (0.49) | KDM4EALDH1A1HPGDCCR5 | |
| SCHEMBL5233175 | 0.82 | CCR5 (0.63) | CCR5 | |
| SCHEMBL4690443 | 0.79 | GRIN2B (0.37) | GRIN2BDRD4DRD2DRD3GRN | |
| SCHEMBL4694237 | 0.78 | OPRM1 (0.47) | ALDH1A1 | |
| SCHEMBL4694987 | 0.78 | GRIN2B (0.51) | GRIN2BDRD2DRD3TACR1CYP2D6 | |
| SCHEMBL3282848 | 0.78 | GRIN2B (0.51) | GRIN2BDRD2DRD3TACR1CYP2D6 | |
| SCHEMBL13779975 | 0.77 | TSHR (0.50) | GRIN2BDRD4DRD2DRD3CYP2C19 | |
| SCHEMBL4693061 | 0.77 | CCR5 (0.51) | ALDH1A1CYP2D6CCR5 | |
| SCHEMBL13176328 | 0.77 | CYP2C19 (0.51) | GRIN2BDRD4DRD2DRD3CYP2C19 | |
| SCHEMBL4690721 | 0.76 | CCR5 (0.45) | ALDH1A1HPGDCCR5 |
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 |