Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.46 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.46 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | CETP | P11597 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28832949 | 0.79 | PDK1 (0.51) | PDK1PDK2PDK3PDK4HTT | |
| SCHEMBL28876956 | 0.77 | POLB (0.49) | KMT2ARAB9AMEN1NPC1LMNA | |
| SCHEMBL1925308 | 0.76 | MAPT (0.45) | ELANEMAPT | |
| SCHEMBL2909082 | 0.73 | PDK1 (0.68) | PDK1PDK2PDK3PDK4HTT | |
| SCHEMBL30806792 | 0.73 | PDK1 (0.68) | PDK1PDK2PDK3PDK4HTT | |
| SCHEMBL10192394 | 0.70 | ELANE (0.57) | KMT2ARAB9ANPC1L3MBTL1ALDH1A1 | |
| SCHEMBL19280535 | 0.69 | PDK1 (0.68) | PDK1PDK2PDK3PDK4HTT | |
| SCHEMBL28869670 | 0.69 | ELANE (0.62) | LMNAELANEMAPT | |
| SCHEMBL30976363 | 0.69 | PDK1 (0.54) | PDK1PDK2PDK3PDK4HTT | |
| SCHEMBL632629 | 0.69 | PDK1 (0.54) | PDK1PDK2PDK3PDK4HTT |
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-105777667-A | Preparation method of anti-depression drug 1-[2-(2,4-dimethylphenylthio)phenyl]piperazine | 康普药业股份有限公司 | 2016-07-20 | — | — | CN | disclosed |