Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRK2 | P25098 | 7/20 | 0.41 |
| ▸ | GRK1 | Q15835 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.38 |
| ▸ | MMP13 | P45452 | 3/20 | 0.38 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29778571 | 1.00 | GRK2 (0.41) | GRK2GRK1ROCK2ROCK1HDAC6 | |
| SCHEMBL29136002 | 0.90 | ROCK1 (0.48) | GRK2GRK1ROCK2ROCK1SLC2A1 | |
| SCHEMBL29778428 | 0.90 | ROCK1 (0.48) | GRK2GRK1ROCK2ROCK1SLC2A1 | |
| SCHEMBL24617318 | 0.87 | GRK2 (0.41) | GRK2GRK1ROCK2ROCK1HDAC6 | |
| SCHEMBL29135939 | 0.86 | ROCK2 (0.41) | GRK2ROCK2ROCK1 | |
| SCHEMBL29778373 | 0.86 | ROCK2 (0.41) | GRK2ROCK2ROCK1 | |
| SCHEMBL29778526 | 0.84 | ROCK1 (0.46) | GRK2GRK1ROCK2ROCK1SLC2A1 | |
| SCHEMBL29778561 | 0.82 | GCK (0.35) | GRK2ROCK2ROCK1CDK9 | |
| SCHEMBL29135972 | 0.82 | GCK (0.35) | GRK2ROCK2ROCK1CDK9 | |
| SCHEMBL29135974 | 0.82 | GCK (0.35) | GRK2ROCK2ROCK1CDK9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117136186-A | Selective inhibitors of ROCK1 and ROCK2 protein kinases and uses thereof | 盖诺斯克公司 | 2023-11-28 | — | — | CN | claimed |
| CN-117136186-A | Selective inhibitors of ROCK1 and ROCK2 protein kinases and uses thereof | 盖诺斯克公司 | 2023-11-28 | — | — | CN | disclosed |