Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.57 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.57 |
| ▸ | PARP1 | P09874 | 13/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | KDR | P35968 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3582276 | 0.76 | AURKB (0.82) | AURKAAURKBPARP1KDR | |
| SCHEMBL3580117 | 0.75 | AURKB (0.77) | AURKAAURKBPARP1KDR | |
| SCHEMBL6841873 | 0.74 | PARP1 (0.62) | PARP1 | |
| SCHEMBL6964340 | 0.73 | PARP1 (0.53) | PARP1 | |
| SCHEMBL7479562 | 0.73 | PARP1 (0.56) | AURKBPARP1KDR | |
| SCHEMBL3582843 | 0.73 | AURKB (0.76) | AURKAAURKBPARP1KDR | |
| SCHEMBL3574435 | 0.73 | AURKB (1.00) | AURKAAURKBPARP1KDR | |
| SCHEMBL3585484 | 0.72 | PARP1 (0.75) | AURKAAURKBPARP1KDR | |
| SCHEMBL19002890 | 0.72 | DRD4 (0.77) | PARP1GAADRD4 | |
| SCHEMBL5620757 | 0.72 | AURKA (0.67) | AURKAAURKBPARP1KDR |
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-2003106430-A1 | BENZIMIDAZOLE INHIBITORS OF POLY(ADP-RIBOSYL) POLYMERASE | PFIZER INC. (US) | 2003-12-24 | — | — | WO | disclosed |