Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 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 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.34 |
| ▸ | ATR | Q13535 | 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 | |
|---|---|---|---|---|
| SCHEMBL162744 | 0.81 | ALDH1A1 (0.37) | ALDH1A1CYP2C9CYP2C19NPSR1LMNA | |
| SCHEMBL30411093 | 0.79 | ATR (0.46) | ALDH1A1LMNACNR1CNR2GABRA1 | |
| SCHEMBL23971112 | 0.79 | ATR (0.46) | ALDH1A1LMNACNR1CNR2GABRA1 | |
| SCHEMBL29409978 | 0.78 | NPSR1 (0.50) | ALDH1A1NPSR1 | |
| SCHEMBL360639 | 0.78 | NPSR1 (0.50) | ALDH1A1NPSR1 | |
| SCHEMBL28085307 | 0.77 | L3MBTL1 (0.41) | ALDH1A1CYP2C9CYP2C19NPSR1LMNA | |
| SCHEMBL21358025 | 0.75 | GABRA1 (0.42) | ALDH1A1NPSR1LMNAGABRA1GABRG2 | |
| SCHEMBL30412104 | 0.75 | ALDH1A1 (0.37) | ALDH1A1CYP2C9CYP2C19NPSR1LMNA | |
| SCHEMBL28482224 | 0.75 | ALDH1A1 (0.36) | ALDH1A1CYP2C9CYP2C19LMNACA12 | |
| SCHEMBL23971148 | 0.75 | ALDH1A1 (0.37) | ALDH1A1CYP2C9CYP2C19NPSR1LMNA |
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-2456771-A1 | FUSED AMINODIHYDROPYRIMIDONE DERIVATIVES | Eisai R&D Management Co., Ltd. (JP) | 2012-05-30 | — | — | EP | disclosed |
| WO-2011009897-A1 | FUSED AMINODIHYDROPYRIMIDONE DERIVATIVES | EISAI R&D MANAGEMENT CO., LTD (JP) | 2011-01-27 | — | — | WO | disclosed |