Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VHL | P40337 | 1/20 | 0.36 |
| ▸ | IKBKB | O14920 | 2/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.32 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.32 |
| ▸ | CCR4 | P51679 | 2/20 | 0.31 |
| ▸ | USP14 | P54578 | 1/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | PIM1 | P11309 | 1/20 | 0.30 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.30 |
| ▸ | CHUK | O15111 | 1/20 | 0.30 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28831653 | 0.88 | — | — | |
| SCHEMBL28079255 | 0.84 | — | — | |
| SCHEMBL16517650 | 0.82 | MAP3K14 (0.42) | VHLIKBKBHSP90AA1L3MBTL1ROCK1 | |
| SCHEMBL28079401 | 0.79 | — | — | |
| SCHEMBL16517705 | 0.72 | MAP3K14 (0.43) | — | |
| SCHEMBL18673472 | 0.71 | MAP3K14 (0.42) | VHLROCK1HDAC1KDM4EALDH1A1 | |
| SCHEMBL16516755 | 0.68 | KDM5A (0.34) | — | |
| SCHEMBL16517444 | 0.67 | MAP3K14 (0.42) | ROCK1 | |
| SCHEMBL16516396 | 0.67 | MAP3K14 (0.42) | — | |
| SCHEMBL16517389 | 0.66 | MAP3K14 (0.41) | — |
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 |