Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.63 |
| ▸ | NR1I3 | Q14994 | 2/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.63 |
| ▸ | VDR | P11473 | 1/20 | 0.63 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.63 |
| ▸ | AHR | P35869 | 1/20 | 0.63 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.62 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.62 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.62 |
| ▸ | CLK2 | P49760 | 1/20 | 0.62 |
| ▸ | BLK | P51451 | 1/20 | 0.62 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.62 |
| ▸ | STK3 | Q13188 | 1/20 | 0.62 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.62 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.62 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | ATM | Q13315 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL28777039 | 0.89 | ROCK2 (0.63) | CYP1A2CYP3A4NR1I3CYP2C9VDR | |
| SCHEMBL30634518 | 0.88 | ROCK2 (0.62) | CYP1A2CYP3A4NR1I3CYP2C9VDR | |
| SCHEMBL26118180 | 0.88 | ROCK2 (0.62) | CYP1A2CYP3A4NR1I3CYP2C9VDR | |
| SCHEMBL23587500 | 0.87 | ROCK2 (0.69) | CYP1A2CYP3A4CYP2C9ROCK2CLK4 | |
| SCHEMBL882944 | 0.85 | ROCK2 (0.77) | CYP1A2CYP3A4ROCK2CLK4ROCK1 | |
| SCHEMBL27248939 | 0.85 | ROCK2 (0.74) | CYP1A2CYP3A4ROCK2CLK4ROCK1 | |
| SCHEMBL15638092 | 0.79 | ROCK2 (0.54) | ROCK2CLK4ROCK1CLK2BLK | |
| SCHEMBL26120225 | 0.79 | CDK4 (0.56) | CYP1A2ROCK2CLK4ROCK1CLK2 | |
| SCHEMBL27066406 | 0.79 | ROCK2 (0.70) | ROCK2CLK4ROCK1CLK2BLK | |
| SCHEMBL10218168 | 0.78 | ROCK2 (0.71) | CYP1A2CYP3A4ROCK2CLK4ROCK1 |
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-2023187697-A1 | PROCESS FOR THE PREPARATION OF BELUMOSUDIL MESYLATE AND ITS CRYSTALLINE FORM | GLENMARK LIFE SCIENCES LIMITED (IN) | 2023-10-05 | — | — | WO | disclosed |