Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.40 |
| ▸ | GALR3 | O60755 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.38 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.37 |
| ▸ | PDE9A | O76083 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2918049 | 0.88 | GRIA1 (0.47) | MCL1ALDH1A1KDM4EHPGDLRRK2 | |
| Water SCHEMBL4777584 | 0.88 | GRIA1 (0.47) | MCL1ALDH1A1KDM4EHPGDLRRK2 | |
| SCHEMBL1882884 | 0.84 | GRIA1 (0.47) | MCL1ALDH1A1KDM4EHPGDLRRK2 | |
| SCHEMBL3667255 | 0.84 | PIM1 (0.41) | MCL1ALDH1A1KDM4EHPGDLRRK2 | |
| SCHEMBL6686812 | 0.83 | GRIA1 (0.47) | MCL1ALDH1A1KDM4EHPGDLRRK2 | |
| SCHEMBL6698453 | 0.81 | GRIA1 (0.47) | MCL1ALDH1A1KDM4EHPGDLRRK2 | |
| SCHEMBL3681528 | 0.81 | MCL1 (0.46) | MCL1ALDH1A1KDM4EHPGDGALR3 | |
| SCHEMBL6693263 | 0.80 | MCL1 (0.40) | MCL1ALDH1A1KDM4EHPGDLRRK2 | |
| SCHEMBL6692474 | 0.80 | PARP1 (0.39) | ALDH1A1PARP1 | |
| SCHEMBL3672706 | 0.79 | KDM4E (0.40) | MCL1ALDH1A1KDM4EHPGDLRRK2 |
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-1465626-A2 | PHARMACEUTICAL COMPOSITIONS COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY OR AN ANTIINFLAMMATORY AGENT AND THEIR USES | Eisai Co., Ltd. (JP) | 2004-10-13 | — | — | EP | disclosed |
| WO-2003047577-A2 | PHARMACEUTICAL COMPOSITIONS COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY OR AN ANTIINFLAMMATORY AGENT AND THEIR USES | EISAI CO LTD (JP) | 2003-06-12 | — | — | WO | disclosed |