Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 11/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.33 |
| ▸ | MAPKAPK2 | P49137 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | CCND1 | P24385 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19187613 | 0.92 | RPS6KA3 (0.41) | PARP1HRH3RPS6KA3 | |
| SCHEMBL15564154 | 0.81 | PARP1 (0.45) | PARP1HRH3CYP2D6RPS6KA3ALDH1A1 | |
| SCHEMBL15564577 | 0.81 | PARP1 (0.48) | PARP1HRH3CYP2D6RPS6KA3ALDH1A1 | |
| SCHEMBL15563354 | 0.80 | PARP1 (0.47) | PARP1HRH3CYP2D6RPS6KA3ALDH1A1 | |
| SCHEMBL19187486 | 0.79 | PARP1 (0.38) | PARP1HRH3MAPKAPK2ALDH1A1CDK4 | |
| SCHEMBL15563327 | 0.77 | PARP1 (0.42) | PARP1HRH3CYP2D6RPS6KA3ALDH1A1 | |
| SCHEMBL15563287 | 0.77 | PARP1 (0.51) | PARP1HRH3CYP2D6 | |
| SCHEMBL20604877 | 0.75 | PARP1 (0.58) | PARP1MAPKAPK2RPS6KA3ALDH1A1GAA | |
| SCHEMBL15564848 | 0.73 | PARP1 (0.40) | PARP1HRH3CYP2D6 | |
| SCHEMBL15563546 | 0.73 | RPS6KA3 (0.44) | PARP1HRH3RPS6KA3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2981538-B1 | PIPERAZINO[1,2-A]INDOL-1-ONES AND [1,4]DIAZEPINO[1,2-A]INDOL-1-ONE | HOFFMANN LA ROCHE (CH) | 2017-08-02 | — | — | EP | disclosed |