Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 2/20 | 0.34 |
| ▸ | ADH1C | P00326 | 2/20 | 0.34 |
| ▸ | ADH1A | P07327 | 2/20 | 0.34 |
| ▸ | ADH7 | P40394 | 2/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | ADH4 | P08319 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 2/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.32 |
| ▸ | BPTF | Q12830 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | GRK2 | P25098 | 1/20 | 0.30 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.30 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19986532 | 0.89 | ADH1B (0.39) | ADH1BADH1CADH1AADH7EPHX1 | |
| SCHEMBL19986513 | 0.77 | P2RX7 (0.33) | P2RX7MAPT | |
| SCHEMBL19986505 | 0.69 | HRH3 (0.38) | MAPT | |
| SCHEMBL19986533 | 0.65 | NUDT1 (0.33) | — | |
| SCHEMBL19986511 | 0.65 | ADH1B (0.38) | ADH1BADH1CADH1A | |
| SCHEMBL23981950 | 0.64 | MAPT (0.42) | P2RX7MAPT | |
| SCHEMBL19986567 | 0.63 | ALDH1A1 (0.42) | ADH1BADH1CADH1AADH7MAPT | |
| SCHEMBL19986536 | 0.63 | AKT1 (0.31) | — | |
| SCHEMBL18977628 | 0.62 | LATS1 (0.42) | MAPT | |
| SCHEMBL8763225 | 0.62 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018050110-A1 | NOVEL CAPSID PROTEIN ASSEMBLY INHIBITOR | 正大天晴药业集团股份有限公司 | 2018-03-22 | — | — | WO | disclosed |