Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 19/20 | 0.49 |
| ▸ | PDK2 | Q15119 | 19/20 | 0.49 |
| ▸ | PDK3 | Q15120 | 19/20 | 0.49 |
| ▸ | PDK4 | Q16654 | 19/20 | 0.49 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.45 |
| ▸ | SRD5A2 | P31213 | 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 | |
|---|---|---|---|---|
| SCHEMBL16585765 | 0.86 | PDK1 (0.62) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL16585561 | 0.86 | PDK1 (0.62) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL16586287 | 0.83 | PDK1 (0.53) | PDK1PDK2PDK3PDK4SRD5A1 | |
| SCHEMBL16589613 | 0.80 | PDK1 (0.48) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL16585924 | 0.79 | PDK1 (0.61) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL16585809 | 0.79 | PDK1 (0.61) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL16585660 | 0.73 | PDK1 (0.42) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL16586074 | 0.73 | PDK1 (0.42) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL16585614 | 0.73 | PDK1 (0.42) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL16585802 | 0.69 | MAPT (0.49) | 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 |