Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 14/20 | 0.72 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.50 |
| ▸ | F12 | P00748 | 2/20 | 0.48 |
| ▸ | PLAU | P00749 | 1/20 | 0.48 |
| ▸ | NCF1 | P14598 | 1/20 | 0.48 |
| ▸ | NOS3 | P29474 | 1/20 | 0.48 |
| ▸ | NOS1 | P29475 | 1/20 | 0.48 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | KLKB1 | P03952 | 4/20 | 0.46 |
| ▸ | KLK1 | P06870 | 2/20 | 0.46 |
| ▸ | PLG | P00747 | 1/20 | 0.44 |
| ▸ | F11 | P03951 | 1/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.44 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.44 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5735425 | 0.84 | ROCK1 (1.00) | ROCK1ROCK2KCNH2MAP4K4F12 | |
| SCHEMBL29481418 | 0.84 | ROCK1 (1.00) | ROCK1ROCK2KCNH2MAP4K4F12 | |
| Hydrochloric Acid SCHEMBL29508477 | 0.82 | ROCK1 (0.96) | ROCK1ROCK2KCNH2MAP4K4F12 | |
| SCHEMBL28285945 | 0.82 | ROCK1 (0.72) | ROCK1ROCK2KCNH2MAP4K4F12 | |
| Hydrochloric Acid SCHEMBL29481411 | 0.82 | ROCK1 (0.96) | ROCK1ROCK2KCNH2MAP4K4F12 | |
| SCHEMBL1696126 | 0.82 | ROCK1 (0.72) | ROCK1ROCK2KCNH2MAP4K4F12 | |
| Hydrochloric Acid SCHEMBL3759590 | 0.82 | ROCK1 (0.96) | ROCK1ROCK2KCNH2MAP4K4F12 | |
| Hydrochloric Acid SCHEMBL5731184 | 0.82 | ROCK1 (0.96) | ROCK1ROCK2KCNH2MAP4K4F12 | |
| SCHEMBL22277251 | 0.79 | ROCK1 (0.68) | ROCK1ROCK2KCNH2MAP4K4F12 | |
| SCHEMBL13302588 | 0.78 | ROCK1 (0.66) | ROCK1ROCK2KCNH2MAP4K4F12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117355521-A | Heteroaryl inhibitors of plasma kallikrein | 武田药品工业株式会社 | 2024-01-05 | — | — | CN | disclosed |