Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 3/20 | 0.37 |
| ▸ | DRD4 | P21917 | 6/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | GRN | P28799 | 1/20 | 0.34 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 2/20 | 0.34 |
| ▸ | JAK3 | P52333 | 2/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4694985 | 0.84 | GRIN2B (0.44) | GRIN2BDRD2DRD3 | |
| SCHEMBL3282844 | 0.84 | GRIN2B (0.44) | GRIN2BDRD2DRD3 | |
| SCHEMBL4694234 | 0.80 | ALDH1A1 (0.41) | ALDH1A1 | |
| SCHEMBL4690448 | 0.79 | GRIN2B (0.41) | GRIN2BDRD4DRD2DRD3CYP2C19 | |
| SCHEMBL4693059 | 0.78 | CCR5 (0.37) | KDM4EALDH1A1 | |
| SCHEMBL4693208 | 0.76 | CCR5 (0.42) | — | |
| SCHEMBL4692078 | 0.76 | CCR5 (0.40) | — | |
| SCHEMBL4694455 | 0.76 | CHRNB2 (0.44) | ALDH1A1HPGD | |
| SCHEMBL4693659 | 0.76 | CHRNB2 (0.47) | KDM4EALDH1A1 | |
| SCHEMBL4694380 | 0.76 | FAAH (0.41) | DRD4DRD2KDM4EALDH1A1FAAH |
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 |