Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GPR3 | P46089 | 1/20 | 0.30 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28099029 | 0.80 | KDM4E (0.50) | HTTKDM4EALDH1A1 | |
| SCHEMBL28257320 | 0.80 | BRCA1 (0.34) | HTTBRCA1KDM4EKIF11ALDH1A1 | |
| SCHEMBL28197487 | 0.80 | HTT (0.32) | HTTBRCA1KDM4EKIF11 | |
| SCHEMBL28297906 | 0.77 | KDM4E (0.41) | KDM4EKIF11ALDH1A1 | |
| SCHEMBL28151061 | 0.74 | ALDH1A1 (0.56) | HTTALDH1A1 | |
| SCHEMBL3200271 | 0.69 | MAPT (0.38) | HTTKDM4EKIF11ALDH1A1 | |
| SCHEMBL6020783 | 0.67 | KDM4E (0.48) | HTTKDM4EALDH1A1 | |
| SCHEMBL28341463 | 0.66 | GPR3 (0.36) | HTTKDM4EALDH1A1GPR3 | |
| SCHEMBL3134123 | 0.66 | IDO1 (0.40) | HTTKDM4EALDH1A1GPR3 | |
| SCHEMBL27926787 | 0.66 | SLC6A2 (0.43) | KDM4EGPR3 |
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-108863897-A | The synthetic method of trifluoromethyl thioetherification indole derivatives | 天津师范大学 | 2018-11-23 | — | — | CN | disclosed |
| CN-105985266-B | Trifluoromethylthio reagent, preparation method and applications | 中国科学院上海有机化学研究所 | 2018-02-16 | — | — | CN | disclosed |