Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | APP | P05067 | 2/20 | 0.55 |
| ▸ | PPARA | Q07869 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28589570 | 1.00 | PDK1 (0.70) | PDK1CYP1A2CYP3A4CYP2C19APP | |
| SCHEMBL6693668 | 0.83 | PDK1 (1.00) | PDK1CYP1A2CYP3A4CYP2C19APP | |
| SCHEMBL6902779 | 0.83 | PDK1 (0.81) | PDK1CYP1A2CYP3A4CYP2C19APP | |
| SCHEMBL31291763 | 0.81 | PDK1 (0.79) | PDK1CYP1A2CYP3A4CYP2C19APP | |
| SCHEMBL9389916 | 0.77 | PDK1 (0.67) | PDK1CYP1A2CYP3A4CYP2C19APP | |
| SCHEMBL6692270 | 0.77 | PDK1 (0.67) | PDK1CYP1A2CYP3A4CYP2C19APP | |
| SCHEMBL6691822 | 0.77 | PDK1 (0.67) | PDK1CYP1A2CYP3A4CYP2C19APP | |
| SCHEMBL19435592 | 0.77 | CYP1A2 (0.59) | PDK1CYP1A2CYP3A4CYP2C19APP | |
| SCHEMBL31294142 | 0.77 | PDK1 (0.70) | PDK1CYP1A2CYP3A4CYP2C19APP | |
| SCHEMBL17950538 | 0.77 | PDK1 (0.70) | PDK1CYP1A2CYP3A4CYP2C19APP |
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-112939829-B | Synthetic method of aryl trifluoromethyl thioether | 武汉药明康德新药开发有限公司 | 2023-02-21 | — | — | CN | disclosed |