Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | TDO2 | P48775 | 1/20 | 0.44 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.41 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL332300 | 0.83 | HDAC4 (0.37) | ALDH1A1SMN1; SMN2CYP3A4 | |
| SCHEMBL135394 | 0.81 | ALDH1A1 (0.48) | ALDH1A1MAPK1IDO1TDO2MBTD1 | |
| SCHEMBL29427056 | 0.81 | ALDH1A1 (0.48) | ALDH1A1MAPK1IDO1TDO2MBTD1 | |
| Ammonia Solution, Strong SCHEMBL3178489 | 0.79 | ALDH1A1 (0.46) | ALDH1A1MAPK1IDO1TDO2MBTD1 | |
| SCHEMBL4103278 | 0.79 | ALDH1A1 (0.46) | ALDH1A1MAPK1IDO1TDO2MBTD1 | |
| SCHEMBL1223707 | 0.79 | ALDH1A1 (0.46) | ALDH1A1MAPK1IDO1TDO2MBTD1 | |
| SCHEMBL30549337 | 0.79 | ALDH1A1 (0.46) | ALDH1A1MAPK1IDO1TDO2MBTD1 | |
| SCHEMBL1044626 | 0.79 | ALDH1A1 (0.46) | ALDH1A1MAPK1IDO1TDO2MBTD1 | |
| Ammonia Solution, Strong SCHEMBL27726646 | 0.79 | ALDH1A1 (0.46) | ALDH1A1MAPK1IDO1TDO2MBTD1 | |
| SCHEMBL28721294 | 0.78 | ALDH1A1 (0.42) | ALDH1A1MAPK1IDO1TDO2MBTD1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114634432-B | High-efficiency synthesis method of alkyl aryl thioether compound | 润药仁智(北京)科技有限公司 | 2023-03-14 | — | — | CN | disclosed |
| CN-114634432-A | High-efficiency synthesis method of alkyl aryl thioether compound | 北京大学 | 2022-06-17 | — | — | CN | disclosed |