Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKB | Q96GD4 | 3/20 | 0.59 |
| ▸ | AURKA | O14965 | 2/20 | 0.59 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.44 |
| ▸ | SCD | O00767 | 1/20 | 0.43 |
| ▸ | GUSB | P08236 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | TOP1 | P11387 | 2/20 | 0.40 |
| ▸ | TOP2A | P11388 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10699139 | 0.89 | AURKB (0.47) | AURKBAURKANPBWR1SCDGUSB | |
| SCHEMBL10698143 | 0.89 | AURKA (0.59) | AURKBAURKANPBWR1PDE4APDE4B | |
| SCHEMBL10696602 | 0.88 | AURKA (0.60) | AURKBAURKASCDGUSBPDE4A | |
| SCHEMBL10699037 | 0.87 | AURKA (0.57) | AURKBAURKANPBWR1GUSBPDE4A | |
| SCHEMBL10701197 | 0.87 | AURKA (0.57) | AURKBAURKANPBWR1GUSBPDE4A | |
| SCHEMBL10697452 | 0.87 | AURKB (0.57) | AURKBAURKANPBWR1PDE4APDE4B | |
| SCHEMBL10699579 | 0.87 | AURKA (0.57) | AURKBAURKAPDE4APDE4BPDE4C | |
| SCHEMBL10698967 | 0.87 | AURKB (0.47) | AURKBAURKANPBWR1SCDGUSB | |
| SCHEMBL10700799 | 0.86 | AURKA (0.56) | AURKBAURKANPBWR1GUSBALDH1A1 | |
| SCHEMBL10696315 | 0.86 | AURKA (0.56) | AURKBAURKANPBWR1SCDGUSB |
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-0268178-A1 | Pyrrolo-benzimidazoles, medicaments containing these compounds and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1988-05-25 | — | — | EP | disclosed |