Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRK2 | P25098 | 3/20 | 0.40 |
| ▸ | GCK | P35557 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.35 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.35 |
| ▸ | TAF1 | P21675 | 1/20 | 0.32 |
| ▸ | EIF4EBP1 | Q13541 | 2/20 | 0.32 |
| ▸ | CCNC | P24863 | 1/20 | 0.32 |
| ▸ | CDK8 | P49336 | 1/20 | 0.32 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29778680 | 1.00 | GRK2 (0.40) | GRK2GCKTSHRROCK2CYP4F2 | |
| SCHEMBL24617552 | 1.00 | GRK2 (0.40) | GRK2GCKTSHRROCK2CYP4F2 | |
| SCHEMBL29778910 | 0.90 | GRK2 (0.40) | GRK2GCKTSHRROCK2CYP4F2 | |
| SCHEMBL29778368 | 0.90 | GRK2 (0.40) | GRK2GCKTSHRROCK2CYP4F2 | |
| SCHEMBL24617551 | 0.90 | GRK2 (0.40) | GRK2GCKTSHRROCK2CYP4F2 | |
| SCHEMBL29135988 | 0.90 | GRK2 (0.40) | GRK2GCKTSHRROCK2CYP4F2 | |
| SCHEMBL24617553 | 0.89 | GRK2 (0.44) | GRK2GCKTSHRROCK2CYP4F2 | |
| SCHEMBL29135992 | 0.89 | GRK2 (0.44) | GRK2GCKTSHRROCK2CYP4F2 | |
| SCHEMBL29778958 | 0.89 | GRK2 (0.44) | GRK2GCKTSHRROCK2CYP4F2 | |
| SCHEMBL24617474 | 0.88 | GCK (0.42) | GRK2GCKTSHRROCK2TAF1 |
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 |