Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKB | Q96GD4 | 6/20 | 0.46 |
| ▸ | AURKA | O14965 | 5/20 | 0.46 |
| ▸ | PIK3C3 | Q8NEB9 | 2/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 5/20 | 0.39 |
| ▸ | PDCD1 | Q15116 | 5/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 5/20 | 0.39 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.39 |
| ▸ | BRAF | P15056 | 1/20 | 0.39 |
| ▸ | CIT | O14578 | 2/20 | 0.38 |
| ▸ | IKBKB | O14920 | 2/20 | 0.37 |
| ▸ | CHUK | O15111 | 2/20 | 0.37 |
| ▸ | INCENP | Q9NQS7 | 2/20 | 0.37 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 3/20 | 0.37 |
| ▸ | IGF1R | P08069 | 2/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.37 |
| ▸ | JAK2 | O60674 | 2/20 | 0.37 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.37 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16655160 | 0.86 | NUDT1 (0.46) | AURKBAURKACHEK1PDCD1CD274 | |
| SCHEMBL16655108 | 0.83 | AURKB (0.42) | AURKBAURKAPIK3C3CHEK1PDCD1 | |
| SCHEMBL16655277 | 0.83 | AURKB (0.44) | AURKBAURKAPIK3C3CHEK1PDCD1 | |
| SCHEMBL1647776 | 0.79 | MAPK14 (0.59) | AURKBAURKAPIK3C3BRAFINCENP | |
| SCHEMBL1648278 | 0.77 | AURKB (0.48) | AURKBAURKAPIK3C3BRAFCIT | |
| SCHEMBL16655062 | 0.76 | AURKB (0.57) | AURKBAURKAPIK3C3NUDT1IKBKB | |
| SCHEMBL1646703 | 0.76 | NUDT1 (0.53) | AURKBAURKAPIK3C3NUDT1BRAF | |
| SCHEMBL1648143 | 0.74 | BRAF (0.46) | AURKBAURKANUDT1BRAFIKBKB | |
| SCHEMBL25173844 | 0.70 | CYP4F2 (0.39) | CD274PRKAA1 | |
| SCHEMBL5808316 | 0.70 | ALDH1A1 (0.36) | CD274RET |
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-3057972-A1 | NOVEL COMPOSITIONS, USES AND METHODS FOR THEIR PREPARATION | Jin, V (US) | 2016-08-24 | — | — | EP | disclosed |
| WO-2015057695-A1 | NOVEL COMPOSITIONS, USES AND METHODS FOR THEIR PREPARATION | JIN BOHAN (US) | 2015-04-23 | — | — | WO | disclosed |