Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.38 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | PAK4 | O96013 | 1/20 | 0.38 |
| ▸ | PRKCG | P05129 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | PRKACA | P17612 | 1/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30759993 | 0.83 | DHPS (0.47) | AAK1CYP17A1ROCK2ROCK1MAPK1 | |
| SCHEMBL30760184 | 0.82 | MAPK1 (0.51) | AAK1CYP17A1ROCK2ROCK1MAPK1 | |
| SCHEMBL30759979 | 0.81 | AAK1 (0.41) | AAK1CYP17A1SCN9AROCK2ROCK1 | |
| SCHEMBL30760154 | 0.81 | ROCK2 (0.43) | AAK1CYP17A1SCN9AROCK2ROCK1 | |
| SCHEMBL30760201 | 0.81 | MAPK1 (0.41) | AAK1CYP17A1ROCK2ROCK1MAPK1 | |
| SCHEMBL30760070 | 0.81 | ROCK1 (0.44) | CYP2C9AAK1CYP17A1SCN9AROCK2 | |
| SCHEMBL30760140 | 0.81 | CACNA1I (0.39) | AAK1CYP17A1ROCK2ROCK1MAPK1 | |
| SCHEMBL31407232 | 0.80 | ROCK2 (0.46) | AAK1CYP17A1ROCK2ROCK1MAPK1 | |
| SCHEMBL15889687 | 0.79 | MAPK1 (0.41) | AAK1MAPK1PTPRB | |
| SCHEMBL30759976 | 0.79 | HDAC4 (0.45) | HDAC4AAK1CYP17A1SCN9AROCK2 |
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-2024040080-A1 | KRAS INHIBITOR CONJUGATES | ERASCA, INC. (US) | 2024-02-22 | — | — | WO | disclosed |