Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 17/20 | 0.44 |
| ▸ | TNKS | O95271 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.38 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.38 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3044841 | 0.88 | MEN1 (0.44) | CHEK1PARP1PARP2AURKAKDR | |
| Hydrochloric Acid SCHEMBL3046777 | 0.86 | CHEK1 (0.52) | CHEK1AURKACDK1KDR | |
| Hydrochloric Acid SCHEMBL3043640 | 0.86 | AURKA (0.44) | CHEK1AURKACDK1KDR | |
| Hydrochloric Acid SCHEMBL3033516 | 0.86 | CHEK1 (0.50) | CHEK1AURKACDK1KDR | |
| SCHEMBL3049632 | 0.86 | DRD4 (0.46) | CHEK1PARP1AURKAKDR | |
| Hydrochloric Acid SCHEMBL3050165 | 0.86 | CHEK1 (0.54) | CHEK1AURKAKDR | |
| Hydrochloric Acid SCHEMBL3043804 | 0.85 | CHEK1 (0.44) | CHEK1AURKACDK1KDR | |
| SCHEMBL3049431 | 0.85 | CHEK1 (0.44) | CHEK1AURKACDK1KDR | |
| Hydrochloric Acid SCHEMBL3044456 | 0.85 | CHEK1 (0.44) | CHEK1AURKACDK1KDR | |
| Hydrochloric Acid SCHEMBL3049651 | 0.84 | CHEK1 (0.42) | CHEK1PARP1PARP2AURKACDK1 |
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-1880993-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2008-01-23 | — | — | EP | disclosed |