Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | GALR3 | O60755 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL4777584 | 0.83 | GRIA1 (0.47) | MCL1KDM4EALDH1A1HPGDMEN1 | |
| SCHEMBL2918049 | 0.83 | GRIA1 (0.47) | MCL1KDM4EALDH1A1HPGDMEN1 | |
| SCHEMBL3666760 | 0.81 | MCL1 (0.41) | MCL1KDM4EALDH1A1HPGDMEN1 | |
| SCHEMBL3676539 | 0.81 | MCL1 (0.43) | MCL1KDM4EALDH1A1HPGDMEN1 | |
| SCHEMBL6695728 | 0.80 | MCL1 (0.45) | MCL1KDM4EALDH1A1HPGDMEN1 | |
| SCHEMBL3672706 | 0.79 | KDM4E (0.40) | MCL1KDM4EALDH1A1HPGDMEN1 | |
| SCHEMBL6674535 | 0.79 | ESR2 (0.40) | MCL1KDM4EALDH1A1HPGDGALR3 | |
| SCHEMBL6686812 | 0.78 | GRIA1 (0.47) | MCL1KDM4EALDH1A1HPGDMEN1 | |
| SCHEMBL3677714 | 0.78 | TGFBR1 (0.42) | MCL1KDM4EALDH1A1HPGDMEN1 | |
| SCHEMBL6693260 | 0.77 | MCL1 (0.42) | MCL1KDM4EALDH1A1HPGDMEN1 |
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 |