Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 9/20 | 0.54 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.50 |
| ▸ | MAPK8 | P45983 | 8/20 | 0.45 |
| ▸ | MAPK9 | P45984 | 8/20 | 0.45 |
| ▸ | MAPK10 | P53779 | 8/20 | 0.45 |
| ▸ | CIT | O14578 | 1/20 | 0.41 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.41 |
| ▸ | STK16 | O75716 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.41 |
| ▸ | CDK11B | P21127 | 1/20 | 0.41 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MAPK4 | P31152 | 1/20 | 0.41 |
| ▸ | TTK | P33981 | 1/20 | 0.41 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | CDK7 | P50613 | 1/20 | 0.41 |
| ▸ | MAP2K6 | P52564 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12968969 | 0.86 | ROCK1 (0.72) | ROCK1MAPK8MAPK9MAPK10 | |
| SCHEMBL6764818 | 0.86 | MAPK8 (0.60) | ROCK1RPS6KA5MAPK8MAPK9MAPK10 | |
| SCHEMBL19089378 | 0.84 | RPS6KA5 (0.59) | ROCK1RPS6KA5MAPT | |
| SCHEMBL5096293 | 0.82 | ROCK1 (0.51) | ROCK1MAPK8MAPK9MAPK10CIT | |
| SCHEMBL19089685 | 0.81 | ROCK1 (0.76) | ROCK1RPS6KA5MAPK1MAPT | |
| SCHEMBL5090476 | 0.76 | MAPK8 (0.47) | ROCK1MAPK8MAPK9MAPK10CIT | |
| SCHEMBL6764801 | 0.75 | ROCK1 (0.53) | ROCK1MAPK8MAPK9MAPK10CIT | |
| SCHEMBL12018249 | 0.74 | ROCK1 (0.52) | ROCK1MAPK8MAPK9MAPK10CIT | |
| SCHEMBL5096228 | 0.74 | ROCK1 (0.46) | ROCK1MAPK8MAPK9MAPK10MAPT | |
| SCHEMBL5102062 | 0.74 | ROCK1 (0.47) | ROCK1MAPK8MAPK9MAPK10CIT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017114500-A1 | ACRYLANILIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATIONS THEREOF IN PHARMACY | 恩瑞生物医药科技（上海）有限公司 | 2017-07-06 | — | — | WO | disclosed |