Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 9/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 2/20 | 0.44 |
| ▸ | DRD4 | P21917 | 2/20 | 0.44 |
| ▸ | DRD3 | P35462 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6873471 | 0.96 | AURKA (0.49) | AURKAKDRAURKBPARP1TSHR | |
| SCHEMBL7413218 | 0.92 | TSHR (0.46) | AURKAKDRAURKBPARP1TSHR | |
| SCHEMBL6580774 | 0.86 | PARP1 (0.56) | AURKAKDRAURKBPARP1 | |
| SCHEMBL6873342 | 0.85 | PARP1 (0.46) | AURKAAURKBPARP1 | |
| SCHEMBL5620780 | 0.85 | AURKA (0.62) | AURKAKDRAURKBPARP1 | |
| SCHEMBL6864807 | 0.84 | PARP1 (0.40) | PARP1DRD2DRD3 | |
| SCHEMBL6872540 | 0.83 | PARP1 (0.39) | PARP1 | |
| SCHEMBL6869630 | 0.83 | PARP1 (0.41) | PARP1 | |
| SCHEMBL6870125 | 0.83 | PARP1 (0.44) | PARP1 | |
| SCHEMBL6590662 | 0.83 | AURKB (0.72) | AURKAKDRAURKBPARP1ALDH1A1 |
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-1133477-B1 | SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS | ABBOTT GMBH & CO KG (DE) | 2004-02-18 | — | — | EP | disclosed |