Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPRC | P08575 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL331374 | 0.75 | MEN1 (0.47) | PTPRCSMN1; SMN2NPC1TP53RAB9A | |
| SCHEMBL10166444 | 0.73 | NPC1 (0.44) | SMN1; SMN2NPC1TP53RAB9AHPGD | |
| SCHEMBL946983 | 0.72 | TSHR (0.45) | SMN1; SMN2NPC1RAB9AHPGDPKM | |
| SCHEMBL1755232 | 0.71 | ALDH1A1 (0.47) | SMN1; SMN2NPC1TP53RAB9AHPGD | |
| SCHEMBL691744 | 0.71 | — | — | |
| SCHEMBL27362498 | 0.69 | — | — | |
| SCHEMBL20526451 | 0.69 | ALOX5 (0.39) | SMN1; SMN2NPC1TP53L3MBTL1MAPK1 | |
| SCHEMBL11398832 | 0.68 | ALDH1A1 (0.44) | SMN1; SMN2NPC1TP53RAB9AHPGD | |
| SCHEMBL19594481 | 0.67 | ALDH1A1 (0.50) | SMN1; SMN2NPC1RAB9AHPGDGAA | |
| SCHEMBL15259433 | 0.67 | TRPA1 (0.39) | SMN1; SMN2NPC1RAB9ATSHRCYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117945964-A | Synthesis method of aryl alkyl asymmetric thioether | 中国人民解放军军事科学院防化研究院 | 2024-04-30 | — | — | CN | claimed |
| CN-117945964-A | Synthesis method of aryl alkyl asymmetric thioether | 中国人民解放军军事科学院防化研究院 | 2024-04-30 | — | — | CN | disclosed |
| CN-108499606-B | O-mercapto aryl nitrogen heterocyclic carbene metal complex catalyst and preparation method and application thereof | 万华化学集团股份有限公司 | 2020-11-20 | — | — | CN | disclosed |
| CN-108499606-A | A kind of neighbour's sulfydryl aryl N-heterocyclic carbine metal composition catalyst and its preparation method and application | 万华化学集团股份有限公司 | 2018-09-07 | — | — | CN | disclosed |