Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 4/20 | 0.66 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.66 |
| ▸ | PDK3 | Q15120 | 4/20 | 0.66 |
| ▸ | PDK4 | Q16654 | 4/20 | 0.66 |
| ▸ | TP53 | P04637 | 6/20 | 0.50 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16585793 | 0.82 | PDK1 (0.58) | PDK1PDK2PDK3PDK4MAPT | |
| SCHEMBL16586237 | 0.82 | PDK1 (0.58) | PDK1PDK2PDK3PDK4TP53 | |
| SCHEMBL16586095 | 0.79 | PDK1 (1.00) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL16585483 | 0.79 | PDK1 (0.47) | PDK1PDK2PDK3PDK4MAPT | |
| SCHEMBL16586287 | 0.74 | PDK1 (0.53) | PDK1PDK2PDK3PDK4MAPT | |
| SCHEMBL11853441 | 0.71 | ALDH1A1 (0.64) | MAPTALDH1A1RAB9ALMNAHSD17B10 | |
| SCHEMBL11853725 | 0.70 | ESR1 (0.69) | PDK1PDK2PDK3PDK4TP53 | |
| SCHEMBL16590118 | 0.70 | PDK1 (0.81) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL7831372 | 0.69 | NOTUM (0.62) | TP53MAPTALDH1A1LMNAHSD17B10 | |
| SCHEMBL7358212 | 0.68 | AVPR1A (0.71) | ALDH1A1LMNA |
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 |