Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K14 | Q99558 | 6/20 | 0.43 |
| ▸ | CDC7 | O00311 | 2/20 | 0.43 |
| ▸ | CDK2 | P24941 | 2/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.39 |
| ▸ | PRKD1 | Q15139 | 2/20 | 0.37 |
| ▸ | ACACB | O00763 | 3/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.34 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.34 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.34 |
| ▸ | PAK4 | O96013 | 2/20 | 0.33 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.33 |
| ▸ | PAK2 | Q13177 | 1/20 | 0.33 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.33 |
| ▸ | PAK6 | Q9NQU5 | 1/20 | 0.33 |
| ▸ | PAK5 | Q9P286 | 1/20 | 0.33 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.31 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.31 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11970770 | 0.91 | MAP3K14 (0.43) | MAP3K14CDC7CDK2ROCK1PRKD1 | |
| SCHEMBL11970616 | 0.87 | MAP3K14 (0.40) | MAP3K14CDC7CDK2ROCK1PRKD1 | |
| SCHEMBL11970532 | 0.84 | MAP3K14 (0.43) | MAP3K14CDC7CDK2ROCK1PRKD1 | |
| SCHEMBL11970931 | 0.83 | MAP3K14 (0.47) | MAP3K14CDC7CDK2ROCK1PRKD1 | |
| SCHEMBL11970487 | 0.83 | MAP3K14 (0.47) | MAP3K14CDC7CDK2ROCK1PRKD1 | |
| SCHEMBL11970837 | 0.81 | MAP3K14 (0.46) | MAP3K14CDC7CDK2ROCK1PRKD1 | |
| SCHEMBL11970511 | 0.75 | MAP3K14 (0.50) | MAP3K14CDC7CDK2ROCK1PRKD1 | |
| SCHEMBL11970865 | 0.75 | MAP3K14 (0.53) | MAP3K14CDC7CDK2ROCK1PRKD1 | |
| SCHEMBL12489650 | 0.75 | MAP3K14 (0.41) | MAP3K14CDC7CDK2ROCK1PRKD1 | |
| SCHEMBL11971208 | 0.74 | MAP3K14 (0.46) | MAP3K14CDC7CDK2ROCK1DYRK1A |
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 |