Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | GRK2 | P25098 | 2/20 | 0.40 |
| ▸ | GCK | P35557 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | USP5 | P45974 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 3/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | OGA | O60502 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | TAF1 | P21675 | 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 | |
|---|---|---|---|---|
| SCHEMBL29136033 | 1.00 | TSHR (0.41) | TSHRGRK2GCKHDAC8HDAC6 | |
| SCHEMBL29778980 | 1.00 | TSHR (0.41) | TSHRGRK2GCKHDAC8HDAC6 | |
| SCHEMBL29779085 | 1.00 | TSHR (0.41) | TSHRGRK2GCKHDAC8HDAC6 | |
| SCHEMBL29779038 | 0.89 | TSHR (0.46) | TSHRGRK2USP5ALDH1A1 | |
| SCHEMBL31232321 | 0.89 | TSHR (0.46) | TSHRGRK2USP5ALDH1A1 | |
| SCHEMBL29778982 | 0.88 | GRK2 (0.44) | TSHRGRK2USP5ALDH1A1 | |
| SCHEMBL29136040 | 0.87 | TSHR (0.44) | TSHRGRK2GCKHDAC8HDAC6 | |
| SCHEMBL29136042 | 0.87 | TSHR (0.44) | TSHRGRK2GCKHDAC8HDAC6 | |
| SCHEMBL29779029 | 0.87 | TSHR (0.44) | TSHRGRK2GCKHDAC8HDAC6 | |
| SCHEMBL29779015 | 0.80 | TSHR (0.35) | TSHRGRK2GCKUSP5BRD4 |
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-117136186-A | Selective inhibitors of ROCK1 and ROCK2 protein kinases and uses thereof | 盖诺斯克公司 | 2023-11-28 | — | — | CN | disclosed |