Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK4 | Q9HAZ1 | 15/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 13/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 13/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 10/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 6/20 | 0.44 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 4/20 | 0.43 |
| ▸ | GSK3B | P49841 | 4/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.43 |
| ▸ | CLK2 | P49760 | 3/20 | 0.43 |
| ▸ | JAK2 | O60674 | 2/20 | 0.43 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.43 |
| ▸ | TYK2 | P29597 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21297554 | 0.79 | CYP1A2 (0.60) | CLK4CYP1A2CYP3A4HSD17B10CYP2D6 | |
| SCHEMBL18742949 | 0.77 | WNT3A (0.58) | CLK4CYP1A2CYP3A4HSD17B10CYP2D6 | |
| SCHEMBL19355263 | 0.75 | CLK4 (0.41) | CLK4CYP1A2CYP3A4HSD17B10CYP2D6 | |
| SCHEMBL16664988 | 0.75 | CLK4 (0.44) | CLK4CYP1A2CYP3A4HSD17B10CYP2D6 | |
| SCHEMBL20564282 | 0.74 | CLK4 (0.41) | CLK4CYP1A2CYP3A4HSD17B10CYP2D6 | |
| SCHEMBL20506096 | 0.74 | MAPT (0.41) | CLK4CYP1A2CYP3A4HSD17B10CYP2D6 | |
| SCHEMBL31032534 | 0.74 | MAPT (0.41) | CLK4CYP1A2CYP3A4HSD17B10CYP2D6 | |
| SCHEMBL18902711 | 0.74 | CYP1A2 (0.53) | CLK4CYP1A2CYP3A4HSD17B10CYP2D6 | |
| SCHEMBL16664919 | 0.74 | PIK3CA (0.44) | CLK4CYP1A2CYP3A4HSD17B10CYP2D6 | |
| SCHEMBL16664969 | 0.74 | KDM4E (0.47) | CLK4CYP1A2CYP3A4HSD17B10CYP2D6 |
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 |