Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIA1 | P42261 | 1/20 | 0.63 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.63 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.63 |
| ▸ | BCL6 | P41182 | 1/20 | 0.36 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.33 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 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 | |
|---|---|---|---|---|
| SCHEMBL16160839 | 0.90 | GRIA1 (0.60) | GRIA1GRIA3PDE4DBCL6MKNK2 | |
| SCHEMBL1882537 | 0.88 | GRIA1 (0.79) | GRIA1GRIA3PDE4DMKNK2GABRA1 | |
| SCHEMBL1880903 | 0.85 | GRIA1 (0.64) | GRIA1GRIA3PDE4DMKNK2GABRA1 | |
| SCHEMBL16160850 | 0.85 | GRIA1 (0.64) | GRIA1GRIA3PDE4DGABRA1GABRG2 | |
| SCHEMBL1879806 | 0.82 | GRIA1 (0.66) | GRIA1GRIA3PDE4DMKNK2GABRA1 | |
| SCHEMBL16160841 | 0.82 | GRIA1 (0.52) | GRIA1GRIA3PDE4DGABRA1GABRG2 | |
| SCHEMBL16160848 | 0.82 | GRIA1 (0.60) | GRIA1GRIA3PDE4DMKNK2GABRA1 | |
| SCHEMBL1886343 | 0.81 | GRIA1 (0.59) | GRIA1GRIA3PDE4DMEN1KMT2A | |
| SCHEMBL1885990 | 0.80 | GRIA1 (0.76) | GRIA1GRIA3PDE4DGABRA1GABRG2 | |
| SCHEMBL16160859 | 0.78 | GRIA1 (0.58) | GRIA1GRIA3PDE4DMKNK2GABRA1 |
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-1871369-A2 | DIHYDROPYRIDINE COMPOUNDS AND COMPOSITIONS FOR HEADACHES | Eisai Co., Ltd. (JP) | 2008-01-02 | — | — | EP | disclosed |
| WO-2006107860-A2 | DIHYDROPYRIDINE COMPOUNDS AND COMPOSITIONS FOR HEADACHES | EISAI CO., LTD. (JP) | 2006-10-12 | — | — | WO | disclosed |