Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIA1 | P42261 | 1/20 | 0.48 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.48 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | KDM5A | P29375 | 1/20 | 0.36 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15758399 | 0.81 | MCL1 (0.41) | MCL1TRPA1ESR2KDM4EALDH1A1 | |
| SCHEMBL4463772 | 0.81 | GRIA1 (0.50) | GRIA1GRIA3PDE4DMCL1TRPA1 | |
| SCHEMBL26986890 | 0.79 | ESR2 (0.51) | MCL1TRPA1ESR2KDM4EALDH1A1 | |
| SCHEMBL18411434 | 0.78 | GRIA1 (0.53) | GRIA1GRIA3PDE4DTRPA1ESR2 | |
| SCHEMBL3475505 | 0.78 | GRIA1 (0.52) | GRIA1GRIA3PDE4DESR2KDM4E | |
| SCHEMBL687843 | 0.78 | GRIA1 (0.58) | GRIA1GRIA3PDE4DMCL1KDM4E | |
| SCHEMBL2925898 | 0.77 | GRIA1 (0.50) | GRIA1GRIA3PDE4DTRPA1ESR2 | |
| SCHEMBL15758398 | 0.77 | GRIA1 (0.57) | GRIA1GRIA3PDE4DMCL1KDM4E | |
| SCHEMBL18411316 | 0.77 | GRIA1 (0.52) | GRIA1GRIA3PDE4DTRPA1ESR2 | |
| SCHEMBL688244 | 0.76 | CYP2A6 (0.47) | KDM4EALDH1A1HPGDPRMT5WDR77 |
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-1871368-A2 | DIHYDROPYRIDINE COMPOUNDS FOR NEURODEGENERATIVE DISEASES AND DEMENTIA | Eisai Co., Ltd. (JP) | 2008-01-02 | — | — | EP | disclosed |
| WO-2006107859-A2 | DIHYDROPYRIDINE COMPOUNDS FOR NEURODEGENERATIVE DISEASES AND DEMENTIA | EISAI CO., LTD. (JP) | 2006-10-12 | — | — | WO | disclosed |