Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 9/20 | 0.61 |
| ▸ | PDK2 | Q15119 | 9/20 | 0.61 |
| ▸ | PDK3 | Q15120 | 9/20 | 0.61 |
| ▸ | PDK4 | Q16654 | 9/20 | 0.61 |
| ▸ | OXTR | P30559 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | XIAP | P98170 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | MET | P08581 | 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 | |
|---|---|---|---|---|
| SCHEMBL16585757 | 0.83 | PDK1 (0.67) | PDK1PDK2PDK3PDK4OXTR | |
| SCHEMBL16590235 | 0.80 | PDK1 (0.65) | PDK1PDK2PDK3PDK4OXTR | |
| SCHEMBL16590100 | 0.80 | PDK1 (0.63) | PDK1PDK2PDK3PDK4OXTR | |
| SCHEMBL16590075 | 0.80 | PDK1 (0.64) | PDK1PDK2PDK3PDK4OXTR | |
| SCHEMBL16585921 | 0.79 | PDK1 (0.66) | PDK1PDK2PDK3PDK4OXTR | |
| SCHEMBL16590092 | 0.79 | PDK1 (0.45) | PDK1PDK2PDK3PDK4OXTR | |
| SCHEMBL16585691 | 0.78 | PDK1 (0.65) | PDK1PDK2PDK3PDK4OXTR | |
| SCHEMBL16585901 | 0.75 | PDK1 (0.41) | PDK1PDK2PDK3PDK4OXTR | |
| SCHEMBL16590067 | 0.74 | PDK1 (0.45) | PDK1PDK2PDK3PDK4OXTR | |
| SCHEMBL1650576 | 0.72 | PDK1 (0.62) | PDK1PDK2PDK3PDK4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015040424-A1 | TETRAHYDROISOQUINOLINE COMPOUNDS AND THEIR USE AS PYRUVATE DEHYDROGENASE KINASE INHIBITORS | VERNALIS (R&D) LIMITED (GB) | 2015-03-26 | — | — | WO | disclosed |
| WO-2015040424-A1 | TETRAHYDROISOQUINOLINE COMPOUNDS AND THEIR USE AS PYRUVATE DEHYDROGENASE KINASE INHIBITORS | VERNALIS (R&D) LIMITED (GB) | 2015-03-26 | — | — | WO | disclosed |