Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 16/20 | 1.00 |
| ▸ | SMPD3 | Q9NY59 | 2/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16416386 | 0.98 | PARP1 (1.00) | PARP1SMPD3 | |
| SCHEMBL16416339 | 0.86 | PARP1 (1.00) | PARP1ALDH1A1 | |
| SCHEMBL16416566 | 0.73 | PARP1 (0.59) | PARP1SMPD3PIM1ALDH1A1POLB | |
| SCHEMBL16416385 | 0.71 | PARP1 (1.00) | PARP1ALDH1A1MAPK1 | |
| SCHEMBL16416477 | 0.71 | PARP1 (0.58) | PARP1 | |
| SCHEMBL16416284 | 0.71 | PARP1 (1.00) | PARP1ALDH1A1 | |
| SCHEMBL31060448 | 0.71 | PARP1 (1.00) | PARP1ALDH1A1 | |
| SCHEMBL16416618 | 0.69 | PARP1 (1.00) | PARP1ALDH1A1 | |
| SCHEMBL21281583 | 0.68 | PARP1 (0.51) | PARP1SMPD3 | |
| SCHEMBL15651358 | 0.67 | PARP1 (0.50) | PARP1ALDH1A1POLBMAPTMAPK1 |
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-2015011008-A1 | 7-AZAINDOLE DERIVATIVES AS PARP INHIBITORS | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2015-01-29 | — | — | WO | disclosed |