Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METAP2 | P50579 | 4/20 | 0.34 |
| ▸ | MET | P08581 | 4/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.32 |
| ▸ | EGFR | P00533 | 2/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.32 |
| ▸ | PAK1 | Q13153 | 3/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | RET | P07949 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29778575 | 1.00 | METAP2 (0.34) | METAP2METROCK2EGFRROCK1 | |
| SCHEMBL24616947 | 0.92 | METAP2 (0.33) | METAP2METROCK2EGFRROCK1 | |
| SCHEMBL29778688 | 0.89 | ROCK2 (0.37) | METAP2ROCK2EGFRROCK1PAK1 | |
| SCHEMBL24617031 | 0.89 | ROCK2 (0.37) | METAP2ROCK2EGFRROCK1PAK1 | |
| SCHEMBL24617618 | 0.89 | WNT1 (0.36) | METAP2METROCK2EGFRROCK1 | |
| SCHEMBL29778454 | 0.82 | ROCK2 (0.37) | METAP2ROCK2EGFRROCK1 | |
| SCHEMBL24616946 | 0.82 | ROCK2 (0.37) | METAP2ROCK2EGFRROCK1 | |
| SCHEMBL24617463 | 0.82 | ESR1 (0.33) | METKDR | |
| SCHEMBL24617035 | 0.81 | ROCK2 (0.42) | METAP2ROCK2ROCK1EGLN1 | |
| SCHEMBL29778487 | 0.81 | ROCK2 (0.42) | METAP2ROCK2ROCK1EGLN1 |
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 3 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 |
| WO-2022150381-A1 | SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND USES THEREOF | Genosco Inc. (US) | 2022-07-14 | — | — | WO | disclosed |