Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.44 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | PRKACA | P17612 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.41 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL26698288 | 0.81 | ALDH1A1 (0.54) | MKNK2MKNK1CYP1A1CYP1B1CYP3A4 | |
| SCHEMBL28938407 | 0.79 | MKNK2 (0.53) | MKNK2MKNK1CYP1A1CYP1B1MAP4K4 | |
| SCHEMBL744752 | 0.77 | CYP1A1 (0.61) | MKNK2MKNK1CYP1A1CYP1B1MAP4K4 | |
| SCHEMBL21409135 | 0.76 | RAF1 (0.43) | MKNK2MKNK1CYP1A1CYP1B1ALDH1A1 | |
| SCHEMBL22031512 | 0.76 | KMT2A (0.43) | MKNK2MKNK1CYP1A1CYP1B1KMT2A | |
| SCHEMBL25552522 | 0.75 | CYP1A1 (0.45) | MKNK2MKNK1CYP1A1CYP1B1MAP4K4 | |
| SCHEMBL30577108 | 0.71 | MKNK2 (0.58) | MKNK2MKNK1CYP1A1CYP1B1MAP4K4 | |
| SCHEMBL431059 | 0.71 | MKNK2 (0.58) | MKNK2MKNK1CYP1A1CYP1B1MAP4K4 | |
| Cyanide SCHEMBL28250393 | 0.71 | CYP1A1 (0.54) | MKNK2MKNK1CYP1A1CYP1B1MAP4K4 | |
| Formic Acid SCHEMBL28048101 | 0.70 | MKNK2 (0.41) | MKNK2MKNK1CYP1A1CYP1B1MAP4K4 |
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-2023226965-A1 | ROCK INHIBITORS AND USES THEREOF | DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) | 2023-11-30 | — | — | WO | disclosed |