Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 7/20 | 0.38 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.38 |
| ▸ | CECR2 | Q9BXF3 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GRK2 | P25098 | 1/20 | 0.37 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.36 |
| ▸ | FSCN1 | Q16658 | 1/20 | 0.36 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.36 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.35 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.35 |
| ▸ | TAF1 | P21675 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 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 | |
|---|---|---|---|---|
| SCHEMBL29778381 | 1.00 | MAPK1 (0.41) | MAPK1TNIKBRD4YTHDC1CECR2 | |
| SCHEMBL30656477 | 0.89 | GRK2 (0.37) | MAPK1TNIKBRD4YTHDC1CECR2 | |
| SCHEMBL29136009 | 0.89 | GRK2 (0.37) | MAPK1TNIKBRD4YTHDC1CECR2 | |
| SCHEMBL29778456 | 0.89 | MAPK1 (0.42) | MAPK1TNIKBRD4YTHDC1CECR2 | |
| SCHEMBL24616967 | 0.89 | MAPK1 (0.42) | MAPK1TNIKBRD4YTHDC1CECR2 | |
| SCHEMBL30656540 | 0.89 | TDO2 (0.40) | MAPK1TNIKBRD4CECR2KDM4E | |
| SCHEMBL29135965 | 0.89 | TDO2 (0.40) | MAPK1TNIKBRD4CECR2KDM4E | |
| SCHEMBL24617483 | 0.87 | MAPK1 (0.41) | MAPK1TNIKBRD4YTHDC1CECR2 | |
| SCHEMBL24617466 | 0.84 | MAPK1 (0.39) | MAPK1TNIKBRD4YTHDC1CECR2 | |
| SCHEMBL29778613 | 0.84 | MAPK1 (0.39) | MAPK1TNIKBRD4YTHDC1CECR2 |
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 |