Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKB | Q96GD4 | 4/20 | 0.52 |
| ▸ | AURKA | O14965 | 3/20 | 0.52 |
| ▸ | PARP1 | P09874 | 5/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | KDR | P35968 | 2/20 | 0.45 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.45 |
| ▸ | PIM1 | P11309 | 1/20 | 0.45 |
| ▸ | SRC | P12931 | 1/20 | 0.45 |
| ▸ | FLT4 | P35916 | 1/20 | 0.45 |
| ▸ | CLK2 | P49760 | 1/20 | 0.45 |
| ▸ | GSK3A | P49840 | 1/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.45 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.45 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.45 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.45 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.45 |
| ▸ | DHODH | Q02127 | 1/20 | 0.45 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.44 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL6581381 | 0.89 | PARP1 (0.64) | AURKBAURKAPARP1DRD3KDR | |
| SCHEMBL6806452 | 0.88 | AURKB (0.67) | AURKBAURKAPARP1KDRPRKD3 | |
| SCHEMBL6588600 | 0.86 | AURKB (0.54) | AURKBAURKAPARP1DRD3KDR | |
| SCHEMBL6591260 | 0.86 | KDR (0.57) | AURKBAURKAPARP1DRD3KDR | |
| SCHEMBL6585555 | 0.84 | AURKB (0.50) | AURKBAURKAPARP1DRD3KDR | |
| SCHEMBL6587697 | 0.84 | AURKB (0.44) | AURKBAURKAPARP1DRD3KDR | |
| SCHEMBL603789 | 0.84 | DRD3 (0.54) | AURKBAURKAPARP1DRD3HRH4 | |
| SCHEMBL6588006 | 0.83 | AURKB (0.54) | AURKBAURKAPARP1DRD3KDR | |
| SCHEMBL6590927 | 0.82 | AURKB (0.47) | AURKBAURKAPARP1DRD3KDR | |
| SCHEMBL7765875 | 0.82 | AURKA (0.77) | AURKBAURKAPARP1DRD3KDR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1177178-B1 | HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF | ABBOTT GMBH & CO KG (DE) | 2004-12-29 | — | — | EP | disclosed |
| WO-2001082877-A2 | USE OF PARP INHIBITORS IN COSMETIC PREPARATIONS | BASF AKTIENGESELLSCHAFT (DE) | 2001-11-08 | — | — | WO | disclosed |