Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 3/20 | 0.39 |
| ▸ | ADH1A | P07327 | 3/20 | 0.39 |
| ▸ | ADH7 | P40394 | 3/20 | 0.39 |
| ▸ | ADH1C | P00326 | 2/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | ADH4 | P08319 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19986571 | 0.89 | ADH1B (0.34) | ADH1BADH1AADH7ADH1CEPHX1 | |
| SCHEMBL19986505 | 0.78 | HRH3 (0.38) | HRH3 | |
| SCHEMBL19986533 | 0.73 | NUDT1 (0.33) | — | |
| SCHEMBL19986511 | 0.73 | ADH1B (0.38) | ADH1BADH1AADH1C | |
| SCHEMBL18977628 | 0.71 | LATS1 (0.42) | — | |
| SCHEMBL19986536 | 0.71 | AKT1 (0.31) | — | |
| SCHEMBL19986718 | 0.70 | ALDH1A1 (0.42) | EPHX1CHEK1 | |
| SCHEMBL19986647 | 0.69 | AKT1 (0.30) | — | |
| SCHEMBL19986567 | 0.68 | ALDH1A1 (0.42) | ADH1BADH1AADH7ADH1C | |
| SCHEMBL8763225 | 0.67 | — | — |
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 |