Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC7 | O00311 | 6/20 | 0.56 |
| ▸ | CDK2 | P24941 | 6/20 | 0.56 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.56 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.52 |
| ▸ | CDK1 | P06493 | 2/20 | 0.52 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.52 |
| ▸ | CDK9 | P50750 | 2/20 | 0.52 |
| ▸ | CDK7 | P50613 | 1/20 | 0.52 |
| ▸ | CCNH | P51946 | 1/20 | 0.52 |
| ▸ | PAK4 | O96013 | 1/20 | 0.52 |
| ▸ | PIKFYVE | Q9Y2I7 | 1/20 | 0.52 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.51 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.51 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.51 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.51 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.51 |
| ▸ | TTBK1 | Q5TCY1 | 4/20 | 0.49 |
| ▸ | TTBK2 | Q6IQ55 | 1/20 | 0.46 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.46 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL12525017 | 0.81 | PAK4 (0.59) | CDC7CDK2PAK4PIKFYVETTBK1 | |
| SCHEMBL30459875 | 0.81 | MKNK1 (0.51) | CCNT1CDK1CCNB1CDK9CDK7 | |
| SCHEMBL17683140 | 0.81 | MKNK1 (0.51) | CCNT1CDK1CCNB1CDK9CDK7 | |
| SCHEMBL11970748 | 0.79 | PAK4 (0.57) | CDC7CDK2ROCK1PAK4PIKFYVE | |
| SCHEMBL11970491 | 0.79 | MAP3K14 (0.60) | CDC7CDK2ROCK1PAK4PIKFYVE | |
| SCHEMBL3824181 | 0.77 | MKNK1 (0.48) | CDC7CDK2ROCK1CCNT1CDK1 | |
| SCHEMBL12075159 | 0.77 | MKNK1 (0.46) | CCNT1CDK1CCNB1CDK9CDK7 | |
| SCHEMBL31020506 | 0.76 | IRAK4 (0.57) | CCNT1CDK1CCNB1CDK9CDK7 | |
| SCHEMBL12075537 | 0.76 | IRAK4 (0.57) | CCNT1CDK1CCNB1CDK9CDK7 | |
| SCHEMBL11970828 | 0.76 | PAK4 (0.66) | CDC7CDK2PAK4PIKFYVETTBK1 |
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 |