Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 8/20 | 0.39 |
| ▸ | GSK3B | P49841 | 2/20 | 0.39 |
| ▸ | CDC7 | O00311 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | PRKACA | P17612 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.39 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18902711 | 0.75 | CYP1A2 (0.53) | CLK4CYP1A2CYP3A4HSD17B10CYP2D6 | |
| SCHEMBL16664988 | 0.73 | CLK4 (0.44) | PIK3CACLK4GSK3BCDC7ROCK2 | |
| SCHEMBL16664939 | 0.73 | CLK4 (0.42) | PIK3CACLK4GSK3BCDC7ROCK2 | |
| SCHEMBL16664967 | 0.73 | CYP1A2 (0.45) | PIK3CACLK4GSK3BCDC7ROCK2 | |
| SCHEMBL16664919 | 0.72 | PIK3CA (0.44) | PIK3CACLK4CYP1A2CYP3A4HSD17B10 | |
| SCHEMBL16664969 | 0.72 | KDM4E (0.47) | PIK3CACLK4GSK3BCDC7ROCK2 | |
| SCHEMBL15343048 | 0.72 | KDM4E (0.47) | PIK3CACLK4GSK3BCDC7ROCK2 | |
| SCHEMBL19905215 | 0.72 | CYP1A2 (0.39) | PIK3C3CLK4GSK3BCDC7ROCK2 | |
| SCHEMBL15473160 | 0.71 | PTGS2 (0.53) | PIK3CACLK4CYP1A2CYP3A4HSD17B10 | |
| SCHEMBL16664961 | 0.71 | FAAH (0.44) | PIK3CACLK4CYP1A2CYP3A4HSD17B10 |
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 |