Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 8/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.41 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.38 |
| ▸ | TUBB | P07437 | 2/20 | 0.38 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.38 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.38 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.38 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.38 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.38 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.38 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.38 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.38 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.38 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.38 |
| ▸ | TUBB6 | Q9BUF5 | 2/20 | 0.38 |
| ▸ | TUBB2B | Q9BVA1 | 2/20 | 0.38 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29627697 | 0.86 | ROCK2 (0.40) | ROCK2ROCK1TUBB4ATUBBTUBA3C | |
| SCHEMBL29640795 | 0.82 | ROCK2 (0.42) | ROCK2ROCK1PDE10AHCRTR1HCRTR2 | |
| SCHEMBL29627935 | 0.82 | ROCK2 (0.52) | ROCK2ROCK1PDE10AHCRTR1HCRTR2 | |
| SCHEMBL29640451 | 0.80 | ROCK2 (0.44) | ROCK2ROCK1 | |
| SCHEMBL29640938 | 0.80 | ROCK2 (0.42) | ROCK2ROCK1TUBB4ATUBBTUBA3C | |
| SCHEMBL29640901 | 0.80 | HCRTR1 (0.41) | ROCK2ROCK1PDE10AHCRTR1HCRTR2 | |
| SCHEMBL29640913 | 0.79 | ROCK2 (0.42) | ROCK2ROCK1HCRTR1HCRTR2 | |
| SCHEMBL29627937 | 0.79 | ROCK2 (0.54) | ROCK2ROCK1 | |
| SCHEMBL29627955 | 0.78 | ROCK2 (0.42) | ROCK2ROCK1HCRTR1HCRTR2 | |
| SCHEMBL29627925 | 0.78 | ROCK2 (0.43) | ROCK2ROCK1HCRTR1HCRTR2 |
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-114502163-A | Ethynylheterocycles as RHO-related coiled coil kinase (ROCK) inhibitors | 安吉昂生物医药公司 | 2022-05-13 | — | — | CN | disclosed |