Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 1/20 | 0.50 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.50 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.35 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.34 |
| ▸ | BPTF | Q12830 | 1/20 | 0.34 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.33 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.32 |
| ▸ | BRAF | P15056 | 2/20 | 0.32 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | CSNK1A1 | P48729 | 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 | |
|---|---|---|---|---|
| SCHEMBL21678222 | 0.83 | PLK1 (0.54) | PLK1CSNK2A1PLK3GPR52CDC7 | |
| SCHEMBL21678820 | 0.80 | PLK1 (0.60) | PLK1CSNK2A1PLK3HIF1AGPR52 | |
| SCHEMBL12260105 | 0.79 | PLK1 (0.42) | PLK1CSNK2A1PLK3HIF1A | |
| SCHEMBL38656498 | 0.75 | PLK1 (0.42) | PLK1CSNK2A1PLK3HIF1AALDH1A1 | |
| SCHEMBL19153787 | 0.72 | PLK1 (0.39) | PLK1CSNK2A1PLK3ALDH1A1 | |
| SCHEMBL22980483 | 0.69 | PLK1 (0.79) | PLK1CSNK2A1PLK3HIF1ACA9 | |
| SCHEMBL21679584 | 0.69 | CDC7 (0.39) | PLK1CSNK2A1PLK3HIF1AMKNK1 | |
| SCHEMBL25979813 | 0.69 | MMP2 (0.41) | CA9ALDH1A1 | |
| SCHEMBL9535703 | 0.69 | PLK1 (0.61) | PLK1CSNK2A1PLK3HIF1AALDH1A1 | |
| SCHEMBL31549296 | 0.68 | NTRK1 (0.45) | PLK1CSNK2A1PLK3 |
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-2020143763-A1 | HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF | 南京药捷安康生物科技有限公司 | 2020-07-16 | — | — | WO | disclosed |