Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 3/20 | 0.38 |
| ▸ | TTBK1 | Q5TCY1 | 8/20 | 0.34 |
| ▸ | PAK4 | O96013 | 1/20 | 0.33 |
| ▸ | PIKFYVE | Q9Y2I7 | 1/20 | 0.33 |
| ▸ | CDC7 | O00311 | 2/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.32 |
| ▸ | MAP3K14 | Q99558 | 2/20 | 0.31 |
| ▸ | TTBK2 | Q6IQ55 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | DYRK1A | Q13627 | 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 | |
|---|---|---|---|---|
| SCHEMBL12490300 | 0.83 | ROCK1 (0.37) | ROCK1TTBK1PAK4PIKFYVECDC7 | |
| SCHEMBL12490146 | 0.79 | FFAR4 (0.39) | ROCK1TTBK1PAK4PIKFYVEMAP3K14 | |
| SCHEMBL12001823 | 0.78 | TTBK1 (0.41) | ROCK1TTBK1PAK4PIKFYVECDC7 | |
| SCHEMBL12490001 | 0.78 | ROCK1 (0.33) | ROCK1 | |
| SCHEMBL12490145 | 0.76 | ROCK1 (0.39) | ROCK1TTBK1PAK4PIKFYVEMAP3K14 | |
| SCHEMBL11970436 | 0.76 | PAK4 (0.51) | TTBK1PAK4PIKFYVEMAP3K14TTBK2 | |
| SCHEMBL12490112 | 0.74 | TTBK1 (0.37) | ROCK1TTBK1PAK4PIKFYVEMAP3K14 | |
| SCHEMBL12490348 | 0.74 | ROCK1 (0.34) | ROCK1TTBK1PAK4PIKFYVECDC7 | |
| SCHEMBL11971330 | 0.72 | CDC7 (0.56) | ROCK1PAK4PIKFYVECDC7CDK2 | |
| SCHEMBL11971819 | 0.72 | ROCK1 (0.36) | ROCK1TTBK1PAK4PIKFYVECDC7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2686314-A1 | 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR | F.HOFFMANN-LA ROCHE AG (CH) | 2014-01-22 | — | — | EP | disclosed |
| WO-2012123522-A1 | 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR | F. HOFFMANN-LA ROCHE AG (CH) | 2012-09-20 | — | — | WO | disclosed |