Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 11/20 | 0.49 |
| ▸ | CDC7 | O00311 | 8/20 | 0.49 |
| ▸ | CDK2 | P24941 | 8/20 | 0.49 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28808920 | 0.82 | ROCK1 (0.51) | ROCK1CDC7CDK2MAP3K14HRH3 | |
| SCHEMBL3821081 | 0.79 | ALDH1A1 (0.39) | ROCK1CDC7CDK2 | |
| SCHEMBL12489602 | 0.71 | CDC7 (0.56) | ROCK1CDC7CDK2MAP3K14 | |
| SCHEMBL19100428 | 0.71 | RPS6KA5 (0.43) | ROCK1CDC7CDK2MAP3K14 | |
| SCHEMBL11970974 | 0.70 | MAP3K14 (0.53) | ROCK1CDC7CDK2MAP3K14HRH3 | |
| SCHEMBL18585738 | 0.68 | CDC7 (0.60) | ROCK1CDC7CDK2MAP3K14 | |
| SCHEMBL17339176 | 0.68 | CDC7 (0.56) | ROCK1CDC7CDK2 | |
| SCHEMBL11971473 | 0.67 | ROCK1 (0.39) | ROCK1CDC7CDK2MAP3K14HRH3 | |
| SCHEMBL11970947 | 0.67 | MAP3K14 (0.50) | ROCK1CDC7CDK2MAP3K14HRH3 | |
| SCHEMBL11970995 | 0.67 | CDC7 (0.50) | ROCK1CDC7CDK2MAP3K14HRH4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103476768-A | 6, 5-heterocyclic propargyl alcohol compounds and uses thereof | HOFFMANN LA ROCHE | 2013-12-25 | — | — | CN | disclosed |