Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.38 |
| ▸ | AXL | P30530 | 3/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.36 |
| ▸ | MET | P08581 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | PRMT5 | O14744 | 2/20 | 0.35 |
| ▸ | WDR77 | Q9BQA1 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16516936 | 0.83 | PIM1 (0.43) | KCNH2AURKBLRRK2BRD4PIK3CA | |
| SCHEMBL16517226 | 0.82 | MAP3K14 (0.51) | AURKBLRRK2 | |
| SCHEMBL16516884 | 0.81 | ELANE (0.46) | AURKBLRRK2BRD4PIK3CAHDAC8 | |
| SCHEMBL8376983 | 0.73 | KCNH2 (0.58) | KCNH2AURKBAXLMETPIK3CA | |
| SCHEMBL29971615 | 0.73 | KCNH2 (0.58) | KCNH2AURKBAXLMETPIK3CA | |
| SCHEMBL28079411 | 0.72 | MAP3K14 (0.36) | — | |
| SCHEMBL16517180 | 0.70 | MAP3K14 (0.52) | KCNH2METBRD4PIK3CAPRMT5 | |
| SCHEMBL16547228 | 0.70 | MAP3K14 (0.52) | AURKBMETPIK3CAHDAC8 | |
| SCHEMBL16532507 | 0.69 | MAP3K14 (0.52) | KCNH2METBRD4PRMT5WDR77 | |
| SCHEMBL16547230 | 0.69 | MAP3K14 (0.62) | AURKBLRRK2MET |
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 |
|---|---|---|---|---|---|---|---|
| CN-105658640-A | Alkynyl alcohols and methods of use | 豪夫迈·罗氏有限公司 | 2016-06-08 | — | — | CN | disclosed |