Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 20/20 | 1.00 |
| ▸ | PDK2 | Q15119 | 20/20 | 1.00 |
| ▸ | PDK3 | Q15120 | 20/20 | 1.00 |
| ▸ | PDK4 | Q16654 | 20/20 | 1.00 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL16586298 | 0.80 | PDK1 (1.00) | PDK1PDK2PDK3PDK4HSP90AA1 | |
| SCHEMBL16586233 | 0.79 | PDK1 (1.00) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL16590055 | 0.78 | PDK1 (1.00) | PDK1PDK2PDK3PDK4HSP90AA1 | |
| SCHEMBL16590075 | 0.78 | PDK1 (0.64) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL16585786 | 0.78 | PDK1 (0.71) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL16589948 | 0.77 | PDK1 (0.63) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL16585971 | 0.77 | PDK1 (1.00) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL16585868 | 0.77 | PDK1 (1.00) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL16589975 | 0.76 | PDK1 (1.00) | PDK1PDK2PDK3PDK4HSP90AA1 | |
| SCHEMBL16585794 | 0.76 | PDK1 (1.00) | 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 3 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 |
| US-8952049-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-02-10 | — | — | US | disclosed |