Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 11/20 | 1.00 |
| ▸ | PDK2 | Q15119 | 11/20 | 1.00 |
| ▸ | PDK3 | Q15120 | 11/20 | 1.00 |
| ▸ | PDK4 | Q16654 | 11/20 | 1.00 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | HTT | P42858 | 2/20 | 0.60 |
| ▸ | NPC1 | O15118 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL16589859 | 0.87 | PDK1 (1.00) | PDK1PDK2PDK3PDK4HSP90AA1 | |
| SCHEMBL16585830 | 0.87 | PDK1 (1.00) | PDK1PDK2PDK3PDK4HSP90AA1 | |
| SCHEMBL16585943 | 0.87 | PDK1 (1.00) | PDK1PDK2PDK3PDK4HSP90AA1 | |
| SCHEMBL16586234 | 0.84 | PDK1 (1.00) | PDK1PDK2PDK3PDK4HSP90AA1 | |
| SCHEMBL16585767 | 0.84 | PDK1 (1.00) | PDK1PDK2PDK3PDK4HSP90AA1 | |
| SCHEMBL16585828 | 0.84 | PDK1 (1.00) | PDK1PDK2PDK3PDK4HSP90AA1 | |
| SCHEMBL3455068 | 0.79 | PDK1 (0.68) | PDK1PDK2PDK3PDK4HSP90AA1 | |
| SCHEMBL3454808 | 0.77 | PDK1 (0.72) | PDK1PDK2PDK3PDK4HSP90AA1 | |
| SCHEMBL3457232 | 0.76 | ALDH1A1 (0.72) | PDK1PDK2PDK3PDK4HSP90AA1 | |
| SCHEMBL16585924 | 0.74 | PDK1 (0.61) | PDK1PDK2PDK3PDK4HSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015040424-A1 | TETRAHYDROISOQUINOLINE COMPOUNDS AND THEIR USE AS PYRUVATE DEHYDROGENASE KINASE INHIBITORS | VERNALIS (R&D) LIMITED (GB) | 2015-03-26 | — | — | WO | disclosed |