Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | GRK2 | P25098 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 6/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 2/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.34 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29778614 | 1.00 | TDO2 (0.40) | TDO2GRK2MAPK1METAP2HDAC1 | |
| SCHEMBL29136004 | 0.92 | TDO2 (0.41) | TDO2GRK2MAPK1METAP2TNIK | |
| SCHEMBL29779026 | 0.92 | TDO2 (0.41) | TDO2GRK2MAPK1METAP2TNIK | |
| SCHEMBL24617483 | 0.89 | MAPK1 (0.41) | TDO2GRK2MAPK1METAP2HDAC1 | |
| SCHEMBL30656540 | 0.88 | TDO2 (0.40) | TDO2GRK2MAPK1METAP2TNIK | |
| SCHEMBL29135965 | 0.88 | TDO2 (0.40) | TDO2GRK2MAPK1METAP2TNIK | |
| SCHEMBL29135935 | 0.86 | TDO2 (0.42) | TDO2GRK2MAPK1METAP2TNIK | |
| SCHEMBL29778506 | 0.86 | TDO2 (0.42) | TDO2GRK2MAPK1METAP2TNIK | |
| SCHEMBL24617465 | 0.84 | METAP2 (0.35) | TDO2METAP2ROCK2ROCK1BRAF | |
| SCHEMBL29778584 | 0.84 | METAP2 (0.35) | TDO2METAP2ROCK2ROCK1BRAF |
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 |