Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 10/20 | 0.44 |
| ▸ | RPS6KB1 | P23443 | 10/20 | 0.42 |
| ▸ | AKT1 | P31749 | 4/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29638494 | 0.82 | PARP1 (0.51) | PARP1RPS6KB1AKT1AURKA | |
| SCHEMBL15544783 | 0.79 | PARP1 (0.41) | PARP1RPS6KB1AKT1 | |
| SCHEMBL29638640 | 0.78 | PARP1 (0.46) | PARP1RPS6KB1AURKA | |
| SCHEMBL27830076 | 0.77 | ALDH1A1 (0.47) | PARP1RPS6KB1AURKA | |
| SCHEMBL528715 | 0.75 | PARP1 (0.62) | PARP1RPS6KB1AKT1AURKAAURKB | |
| SCHEMBL29558330 | 0.75 | PARP1 (0.62) | PARP1RPS6KB1AKT1AURKAAURKB | |
| Hydrochloric Acid SCHEMBL31382875 | 0.73 | PARP1 (0.60) | PARP1RPS6KB1AKT1AURKAAURKB | |
| SCHEMBL3265420 | 0.73 | RPS6KB1 (0.43) | RPS6KB1AKT1 | |
| SCHEMBL20515247 | 0.73 | PARP1 (0.65) | PARP1RPS6KB1AURKB | |
| SCHEMBL29936937 | 0.72 | RAB9A (0.35) | — |
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-2022089219-A1 | ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2022-05-05 | — | — | WO | disclosed |