Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 7/20 | 0.61 |
| ▸ | PDK2 | Q15119 | 7/20 | 0.61 |
| ▸ | PDK3 | Q15120 | 7/20 | 0.61 |
| ▸ | PDK4 | Q16654 | 7/20 | 0.61 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | TSHR | P16473 | 3/20 | 0.60 |
| ▸ | HTT | P42858 | 3/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL16589613 | 0.89 | PDK1 (0.48) | PDK1PDK2PDK3PDK4HSP90AA1 | |
| SCHEMBL16585809 | 0.88 | PDK1 (0.61) | PDK1PDK2PDK3PDK4HSP90AA1 | |
| SCHEMBL16585765 | 0.87 | PDK1 (0.62) | PDK1PDK2PDK3PDK4HSP90AA1 | |
| SCHEMBL16585561 | 0.87 | PDK1 (0.62) | PDK1PDK2PDK3PDK4HSP90AA1 | |
| SCHEMBL16585758 | 0.85 | PDK1 (0.67) | PDK1PDK2PDK3PDK4HSP90AA1 | |
| SCHEMBL16586074 | 0.81 | PDK1 (0.42) | PDK1PDK2PDK3PDK4HSP90AA1 | |
| SCHEMBL16585660 | 0.81 | PDK1 (0.42) | PDK1PDK2PDK3PDK4HSP90AA1 | |
| SCHEMBL16585614 | 0.81 | PDK1 (0.42) | PDK1PDK2PDK3PDK4HSP90AA1 | |
| SCHEMBL16585803 | 0.79 | PDK1 (0.49) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL16585828 | 0.76 | PDK1 (1.00) | 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 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 |