Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAK4 | O96013 | 1/20 | 0.34 |
| ▸ | PIKFYVE | Q9Y2I7 | 1/20 | 0.34 |
| ▸ | MAP3K14 | Q99558 | 10/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | TTBK1 | Q5TCY1 | 3/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.32 |
| ▸ | PRKDC | P78527 | 2/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 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 | |
|---|---|---|---|---|
| SCHEMBL11970609 | 0.86 | MAP3K14 (0.49) | PAK4PIKFYVEMAP3K14MAP4K4 | |
| SCHEMBL11971029 | 0.79 | EGLN2 (0.33) | PAK4PIKFYVE | |
| SCHEMBL12001772 | 0.79 | MAP3K14 (0.47) | PAK4PIKFYVEMAP3K14MAP4K4TTBK1 | |
| SCHEMBL11970462 | 0.77 | EGLN2 (0.40) | PAK4PIKFYVEMAP3K14 | |
| SCHEMBL12001574 | 0.75 | PAK4 (0.58) | PAK4PIKFYVEMAP3K14TTBK1 | |
| SCHEMBL12743202 | 0.68 | MAP3K14 (0.50) | MAP3K14MAP4K4KCNH2PRKDC | |
| SCHEMBL12743205 | 0.68 | MAP3K14 (0.50) | MAP3K14MAP4K4KCNH2PRKDC | |
| SCHEMBL12743838 | 0.66 | MAP3K14 (0.42) | MAP3K14MAP4K4 | |
| SCHEMBL12743837 | 0.66 | MAP3K14 (0.42) | MAP3K14MAP4K4 | |
| SCHEMBL12743841 | 0.66 | MAP3K14 (0.42) | MAP3K14MAP4K4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012123522-A1 | 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR | F. HOFFMANN-LA ROCHE AG (CH) | 2012-09-20 | — | — | WO | disclosed |