Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 15/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19187282 | 0.93 | PARP1 (0.44) | PARP1HRH3RPS6KA2 | |
| SCHEMBL16151406 | 0.84 | PARP1 (0.41) | PARP1HRH3CYP2D6ALDH1A1GAA | |
| SCHEMBL17439961 | 0.82 | PARP1 (0.43) | PARP1HRH3CYP2D6ALDH1A1GAA | |
| SCHEMBL16150597 | 0.81 | PARP1 (0.42) | PARP1HRH3CYP2D6ALDH1A1GAA | |
| SCHEMBL19187272 | 0.81 | PARP1 (0.39) | PARP1HRH3CYP2D6ALDH1A1GAA | |
| SCHEMBL16151298 | 0.80 | PARP1 (0.39) | PARP1HRH3CYP2D6ALDH1A1GAA | |
| SCHEMBL16150818 | 0.80 | PARP1 (0.46) | PARP1HRH3CYP2D6RPS6KA2 | |
| SCHEMBL19187284 | 0.79 | PARP1 (0.58) | PARP1 | |
| SCHEMBL19187534 | 0.77 | HRH3 (0.41) | PARP1HRH3CYP2D6 | |
| SCHEMBL16150846 | 0.77 | RPS6KA3 (0.41) | HRH3RPS6KA2 |
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 |