Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 5/20 | 0.45 |
| ▸ | KDR | P35968 | 5/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 13/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3044243 | 0.90 | AURKA (0.44) | AURKAKDRCHEK1 | |
| Hydrochloric Acid SCHEMBL3049664 | 0.87 | CHEK1 (0.45) | AURKAKDRCHEK1 | |
| Hydrochloric Acid SCHEMBL3049539 | 0.87 | CHEK1 (0.44) | AURKAKDRCHEK1 | |
| SCHEMBL3048839 | 0.86 | AURKA (0.42) | AURKAKDRCHEK1 | |
| Hydrochloric Acid SCHEMBL3044435 | 0.85 | CHEK1 (0.48) | AURKAKDRCHEK1 | |
| SCHEMBL3048867 | 0.85 | AURKA (0.45) | AURKAKDRCHEK1 | |
| Hydrochloric Acid SCHEMBL3050060 | 0.85 | CHEK1 (0.46) | AURKAKDRCHEK1 | |
| SCHEMBL3052565 | 0.84 | AURKA (0.44) | AURKAKDRCHEK1 | |
| SCHEMBL3046409 | 0.84 | AURKA (0.44) | AURKAKDRCHEK1 | |
| SCHEMBL3037259 | 0.84 | CHEK1 (0.44) | AURKAKDRCHEK1 |
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 |