Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ESRRA | P11474 | 1/20 | 0.38 |
| ▸ | TNF | P01375 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 2/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TNFSF11 | O14788 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28866451 | 0.77 | HTT (0.33) | KDM4EALDH1A1KIF11 | |
| SCHEMBL3200271 | 0.77 | MAPT (0.38) | KDM4EPOLBALDH1A1KIF11RORC | |
| SCHEMBL28099029 | 0.76 | KDM4E (0.50) | KDM4EPOLBNR4A2ALDH1A1 | |
| SCHEMBL28197487 | 0.76 | HTT (0.32) | KDM4EKIF11 | |
| SCHEMBL28257320 | 0.76 | BRCA1 (0.34) | KDM4EPOLBALDH1A1KIF11 | |
| SCHEMBL13335112 | 0.75 | KDM4E (0.49) | KDM4EPOLBCTDSP1NR4A2ALDH1A1 | |
| SCHEMBL28151061 | 0.73 | ALDH1A1 (0.56) | POLBALDH1A1L3MBTL1CYP2C9 | |
| SCHEMBL13335107 | 0.71 | KDM4E (0.45) | KDM4EPOLBCTDSP1NR4A2ALDH1A1 | |
| SCHEMBL11015575 | 0.71 | IDO1 (0.43) | KDM4EPOLBCTDSP1NR4A2ALDH1A1 | |
| SCHEMBL13335076 | 0.71 | KDM4E (0.47) | KDM4EPOLBCTDSP1NR4A2ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108863897-B | Synthesis method of trifluoromethyl thioetherified indole derivative | 天津师范大学 | 2021-08-31 | — | — | CN | disclosed |
| CN-109694339-A | A kind of novel trifluoromethylthio reagent and its application | 天津科技大学 | 2019-04-30 | — | — | CN | disclosed |
| CN-108863897-A | The synthetic method of trifluoromethyl thioetherification indole derivatives | 天津师范大学 | 2018-11-23 | — | — | CN | disclosed |