Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | PDK1 | Q15118 | 3/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.46 |
| ▸ | PDK3 | Q15120 | 3/20 | 0.46 |
| ▸ | PDK4 | Q16654 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28053391 | 0.84 | POLB (0.42) | LMNAL3MBTL1PDK1PDK2PDK3 | |
| SCHEMBL28197116 | 0.80 | CYP1A2 (0.46) | LMNAL3MBTL1PDK1PDK2PDK3 | |
| SCHEMBL28650784 | 0.80 | CYP1A2 (0.48) | LMNANPC1RAB9AALDH1A1HTT | |
| SCHEMBL28832949 | 0.79 | PDK1 (0.51) | LMNAPDK1PDK2PDK3PDK4 | |
| SCHEMBL28090478 | 0.79 | PDK1 (0.46) | LMNAL3MBTL1PDK1PDK2PDK3 | |
| SCHEMBL28044065 | 0.79 | HDAC1 (0.42) | LMNANPC1RAB9AALDH1A1MAPK1 | |
| SCHEMBL11803862 | 0.79 | PDE4D (0.48) | LMNAL3MBTL1NPC1RAB9AALDH1A1 | |
| SCHEMBL28018573 | 0.78 | KDM4E (0.52) | LMNAL3MBTL1PDK1PDK2PDK3 | |
| SCHEMBL28876956 | 0.77 | POLB (0.49) | LMNAL3MBTL1NPC1RAB9AALDH1A1 | |
| SCHEMBL1925739 | 0.76 | ALDH1A1 (0.45) | L3MBTL1ALDH1A1HTTPOLB |
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 |