Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC25A | P30304 | 1/20 | 0.45 |
| ▸ | CDC25B | P30305 | 1/20 | 0.45 |
| ▸ | CDC25C | P30307 | 1/20 | 0.45 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.45 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.42 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22191011 | 0.84 | CYP1A2 (0.59) | CYP1A2HSD17B10ALDH1A1CYP3A4TP53 | |
| SCHEMBL22191291 | 0.82 | CLK4 (0.46) | CYP1A2HSD17B10ALDH1A1CYP3A4TP53 | |
| SCHEMBL15343345 | 0.76 | CYP1A2 (0.53) | CYP1A2HSD17B10ALDH1A1CYP3A4TP53 | |
| SCHEMBL15356477 | 0.76 | KIT (0.50) | CYP1A2HSD17B10ALDH1A1CYP3A4TP53 | |
| SCHEMBL16664932 | 0.72 | EGFR (0.42) | CYP1A2HSD17B10ALDH1A1CYP3A4TP53 | |
| SCHEMBL11786092 | 0.72 | CYP1A2 (0.56) | CYP1A2HSD17B10ALDH1A1CYP3A4TP53 | |
| SCHEMBL15343278 | 0.71 | FAAH (0.50) | CYP1A2HSD17B10ALDH1A1CYP3A4TP53 | |
| SCHEMBL16664928 | 0.70 | CYP1A2 (0.50) | AURKBCYP1A2HSD17B10ALDH1A1CYP3A4 | |
| SCHEMBL16664969 | 0.70 | KDM4E (0.47) | CYP1A2HSD17B10ALDH1A1CYP3A4TP53 | |
| SCHEMBL15343048 | 0.70 | KDM4E (0.47) | CYP1A2HSD17B10ALDH1A1CYP3A4TP53 |
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-2015058031-A1 | DNA-PK INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-04-23 | — | — | WO | disclosed |