Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRK2 | P25098 | 3/20 | 0.41 |
| ▸ | GCK | P35557 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
| ▸ | TAF1 | P21675 | 1/20 | 0.35 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.34 |
| ▸ | RAF1 | P04049 | 4/20 | 0.33 |
| ▸ | BRAF | P15056 | 4/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.32 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.32 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29135954 | 1.00 | GRK2 (0.41) | GRK2GCKTSHREGFRROCK2 | |
| SCHEMBL29778559 | 1.00 | GRK2 (0.41) | GRK2GCKTSHREGFRROCK2 | |
| SCHEMBL29135972 | 0.90 | GCK (0.35) | GRK2GCKTSHREGFRROCK2 | |
| SCHEMBL29135974 | 0.90 | GCK (0.35) | GRK2GCKTSHREGFRROCK2 | |
| SCHEMBL29778561 | 0.90 | GCK (0.35) | GRK2GCKTSHREGFRROCK2 | |
| SCHEMBL24617654 | 0.89 | GRK2 (0.42) | GRK2GCKTSHREGFRROCK2 | |
| SCHEMBL24617474 | 0.89 | GCK (0.42) | GRK2GCKTSHREGFRROCK2 | |
| SCHEMBL24617477 | 0.89 | GCK (0.42) | GRK2GCKTSHREGFRROCK2 | |
| SCHEMBL24617106 | 0.89 | GRK2 (0.42) | GRK2GCKTSHREGFRROCK2 | |
| SCHEMBL24617127 | 0.89 | GCK (0.42) | GRK2GCKTSHREGFRROCK2 |
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 |