Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K14 | Q99558 | 9/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 9/20 | 0.39 |
| ▸ | FPR2 | P25090 | 4/20 | 0.39 |
| ▸ | CDC7 | O00311 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | PKD1 | P98161 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16516868 | 0.92 | MAP3K14 (0.39) | MAP3K14SCN9AFPR2ROCK2PKD1 | |
| SCHEMBL16516873 | 0.92 | MAP3K14 (0.39) | MAP3K14SCN9AFPR2ROCK2PKD1 | |
| SCHEMBL16517790 | 0.85 | MAP3K14 (0.46) | MAP3K14SCN9APKD1 | |
| SCHEMBL16517538 | 0.85 | MAP3K14 (0.47) | MAP3K14PKD1 | |
| SCHEMBL16517522 | 0.82 | MAP3K14 (0.62) | MAP3K14SCN9AFPR2PKD1 | |
| SCHEMBL16517789 | 0.82 | MAP3K14 (0.42) | MAP3K14PKD1 | |
| SCHEMBL16517169 | 0.81 | MAP3K14 (0.55) | MAP3K14SCN9APKD1 | |
| SCHEMBL16516863 | 0.79 | MAP3K14 (0.46) | MAP3K14SCN9APKD1 | |
| SCHEMBL16517602 | 0.78 | MAP3K14 (0.53) | MAP3K14PKD1 | |
| SCHEMBL16516748 | 0.78 | MAP3K14 (0.58) | MAP3K14SCN9APKD1 |
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-3036229-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | F. Hoffmann-La Roche AG (CH) | 2016-06-29 | — | — | EP | disclosed |
| WO-2015025026-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2015-02-26 | — | — | WO | disclosed |