Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | WDR5 | P61964 | 3/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.37 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | PARG | Q86W56 | 1/20 | 0.35 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29778591 | 1.00 | MAP4K4 (0.43) | MAP4K4BRD4HDAC4WDR5P2RX7 | |
| SCHEMBL29778999 | 0.93 | AKT1 (0.39) | MAP4K4WDR5P2RX7ROCK2 | |
| SCHEMBL24617629 | 0.93 | AKT1 (0.39) | MAP4K4WDR5P2RX7ROCK2 | |
| Hydrochloric Acid SCHEMBL29135938 | 0.92 | AKT1 (0.40) | WDR5P2RX7ROCK2 | |
| Hydrochloric Acid SCHEMBL29778490 | 0.92 | AKT1 (0.40) | WDR5P2RX7ROCK2 | |
| SCHEMBL24617628 | 0.90 | BRD4 (0.46) | MAP4K4BRD4HDAC4ROCK2PARP1 | |
| SCHEMBL29778607 | 0.90 | BRD4 (0.46) | MAP4K4BRD4HDAC4ROCK2PARP1 | |
| SCHEMBL24617644 | 0.90 | P2RX7 (0.39) | BRD4HDAC4WDR5P2RX7DYRK1A | |
| SCHEMBL29778504 | 0.90 | P2RX7 (0.39) | BRD4HDAC4WDR5P2RX7DYRK1A | |
| SCHEMBL24616954 | 0.85 | P2RX7 (0.43) | WDR5P2RX7ROCK2EGLN1 |
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 |