Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K14 | Q99558 | 2/20 | 0.43 |
| ▸ | CDC7 | O00311 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 5/20 | 0.38 |
| ▸ | TTBK1 | Q5TCY1 | 4/20 | 0.38 |
| ▸ | PAK4 | O96013 | 1/20 | 0.36 |
| ▸ | PIKFYVE | Q9Y2I7 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | PRKACA | P17612 | 1/20 | 0.33 |
| ▸ | PRKACG | P22612 | 1/20 | 0.33 |
| ▸ | PRKACB | P22694 | 1/20 | 0.33 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.33 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.33 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.33 |
| ▸ | CLK1 | P49759 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11970740 | 0.78 | MAP3K14 (0.48) | MAP3K14CDC7CDK2ROCK1HRH4 | |
| SCHEMBL11970849 | 0.78 | MAP3K14 (0.42) | MAP3K14CDC7CDK2ROCK1HRH4 | |
| SCHEMBL11970974 | 0.77 | MAP3K14 (0.53) | MAP3K14CDC7CDK2ROCK1HRH4 | |
| SCHEMBL11970923 | 0.76 | MAP3K14 (0.48) | MAP3K14CDC7CDK2ROCK1TTBK1 | |
| SCHEMBL11970995 | 0.74 | CDC7 (0.50) | MAP3K14CDC7CDK2ROCK1HRH4 | |
| SCHEMBL11970947 | 0.71 | MAP3K14 (0.50) | MAP3K14CDC7CDK2ROCK1HRH4 | |
| SCHEMBL11970600 | 0.71 | MAP3K14 (0.47) | MAP3K14CDC7CDK2ROCK1HRH4 | |
| SCHEMBL11970544 | 0.70 | MAP3K14 (0.49) | MAP3K14CDC7CDK2ROCK1TTBK1 | |
| SCHEMBL11971129 | 0.70 | MAP3K14 (0.49) | MAP3K14CDC7CDK2ROCK1TTBK1 | |
| SCHEMBL11971201 | 0.69 | MAP3K14 (0.46) | MAP3K14CDC7CDK2ROCK1TTBK1 |
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 |