Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP46A1 | Q9Y6A2 | 3/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | RET | P07949 | 3/20 | 0.33 |
| ▸ | PKLR | P30613 | 1/20 | 0.33 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6400406 | 0.83 | OPRL1 (0.40) | CYP46A1GRIN2B | |
| SCHEMBL6399434 | 0.74 | ALDH1A1 (0.33) | PDE4DHRH3MEN1HPGDKMT2A | |
| SCHEMBL16051233 | 0.70 | CYP46A1 (0.50) | CYP46A1GRIN2BRETPKLR | |
| SCHEMBL21611373 | 0.69 | TRPA1 (0.50) | CYP46A1GRIN2BALDH1A1 | |
| SCHEMBL6397918 | 0.68 | NPC1 (0.40) | MEN1KMT2AALDH1A1 | |
| SCHEMBL20070184 | 0.67 | CYP46A1 (0.56) | CYP46A1GRIN2BRETPKLRHRH3 | |
| SCHEMBL20147400 | 0.67 | CYP46A1 (0.50) | CYP46A1GRIN2BRETPKLR | |
| SCHEMBL6405514 | 0.67 | FDFT1 (0.39) | HRH3MEN1HPGDKMT2AALDH1A1 | |
| SCHEMBL1087370 | 0.67 | CYP46A1 (0.46) | CYP46A1GRIN2BMEN1HPGDKMT2A | |
| SCHEMBL29571928 | 0.67 | CYP46A1 (0.46) | CYP46A1GRIN2BMEN1HPGDKMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6949585-B2 | Cyclooctanone derivatives and cyclodecanone derivative, and use thereof | EISAI CO., LTD. (JP) | 2005-09-27 | — | — | US | disclosed |
| EP-1375465-A9 | CYCLOOCTANONE DERIVATIVE AND CYCLODECANONE DERIVATIVE, AND USE THEREOF | Eisai Co., Ltd. (JP) | 2004-04-14 | — | — | EP | disclosed |
| EP-1375479-A1 | PYRROLIDINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME | Eisai Co., Ltd. (JP) | 2004-01-02 | — | — | EP | disclosed |