Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK4 | Q9HAZ1 | 10/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.44 |
| ▸ | CDC7 | O00311 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | PIM1 | P11309 | 1/20 | 0.44 |
| ▸ | PRKACA | P17612 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.44 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.44 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 13/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | CASP7 | P55210 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 7/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18627046 | 0.84 | CYP1A2 (0.41) | CLK4MAP4K4CDC7ROCK2PIM1 | |
| SCHEMBL16664967 | 0.82 | CYP1A2 (0.45) | CLK4MAP4K4CDC7ROCK2PIM1 | |
| SCHEMBL16664939 | 0.82 | CLK4 (0.42) | CLK4MAP4K4CDC7ROCK2PIM1 | |
| SCHEMBL18627048 | 0.81 | ABL1 (0.44) | CLK4MAP4K4CDC7ROCK2PIM1 | |
| SCHEMBL12907692 | 0.81 | ABL1 (0.45) | CLK4CYP1A2CYP3A4ALDH1A1MEN1 | |
| SCHEMBL18902711 | 0.79 | CYP1A2 (0.53) | CLK4CYP1A2CYP3A4ALDH1A1KDM4E | |
| SCHEMBL22148218 | 0.79 | MAP4K4 (0.47) | CLK4MAP4K4CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL15343082 | 0.78 | CYP1A2 (0.55) | CLK4GSK3BCYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL20415116 | 0.76 | MAP4K4 (0.51) | MAP4K4PIM1PIK3CAWNT3A | |
| SCHEMBL15343155 | 0.75 | CLK4 (0.40) | CLK4MAP4K4CDC7ROCK2PIM1 |
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 |