Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.54 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.54 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.54 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.54 |
| ▸ | CTSL | P07711 | 1/20 | 0.54 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.47 |
| ▸ | IDH1 | O75874 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | PREP | P48147 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.41 |
| ▸ | SPR | P35270 | 1/20 | 0.41 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28775133 | 1.00 | PDK1 (0.54) | PDK1PDK2PDK3PDK4CTSL | |
| SCHEMBL28775139 | 1.00 | PDK1 (0.54) | PDK1PDK2PDK3PDK4CTSL | |
| SCHEMBL28532691 | 0.93 | CTSL (0.54) | PDK1PDK2PDK3PDK4CTSL | |
| SCHEMBL28532689 | 0.93 | CTSL (0.54) | PDK1PDK2PDK3PDK4CTSL | |
| SCHEMBL28533147 | 0.88 | CTSL (0.59) | CTSLITGB3ITGA2BPDE4BMAPK1 | |
| SCHEMBL29715729 | 0.88 | CTSL (0.59) | CTSLITGB3ITGA2BPDE4BMAPK1 | |
| SCHEMBL29808694 | 0.87 | PDK1 (0.48) | PDK1PDK2PDK3PDK4CTSL | |
| SCHEMBL523864 | 0.85 | PDK1 (0.57) | PDK1PDK2PDK3PDK4CTSL | |
| SCHEMBL523865 | 0.85 | PDK1 (0.57) | PDK1PDK2PDK3PDK4CTSL | |
| SCHEMBL2441255 | 0.84 | CTSL (0.57) | CTSLITGB3ITGA2BPREPFKBP1A |
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 |
|---|---|---|---|---|---|---|---|
| CN-114729004-A | Heterocyclic compounds | 日商泛美克斯股份有限公司 | 2022-07-08 | — | — | CN | disclosed |