Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.40 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.37 |
| ▸ | ABCC9 | O60706 | 2/20 | 0.36 |
| ▸ | ABCC8 | Q09428 | 2/20 | 0.36 |
| ▸ | KCNJ11 | Q14654 | 2/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.36 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.36 |
| ▸ | KCNJ8 | Q15842 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28032793 | 0.80 | ALDH1A1 (0.53) | CES1CES2LMNAALDH1A1PDK1 | |
| SCHEMBL28032360 | 0.79 | MEN1 (0.48) | TDP1LMNAALDH1A1HSD17B10MAPT | |
| SCHEMBL6265371 | 0.78 | TDP1 (0.50) | CES1TDP1L3MBTL1CES2LMNA | |
| SCHEMBL20867964 | 0.78 | CES1 (0.44) | CES1TDP1L3MBTL1CES2LMNA | |
| SCHEMBL28095496 | 0.76 | TDP1 (0.50) | CES1TDP1L3MBTL1CES2LMNA | |
| SCHEMBL28242285 | 0.75 | CES1 (0.41) | CES1TDP1L3MBTL1CES2LMNA | |
| SCHEMBL6265373 | 0.73 | TDP1 (0.45) | CES1TDP1L3MBTL1CES2LMNA | |
| SCHEMBL28317285 | 0.70 | CES1 (0.58) | CES1TDP1L3MBTL1CES2LMNA | |
| SCHEMBL2649732 | 0.70 | CES1 (0.52) | CES1TDP1L3MBTL1CES2LMNA | |
| SCHEMBL28991897 | 0.69 | SRC (0.45) | LMNAALDH1A1MAPK1 |
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-108569942-B | Preparation method of alpha-trifluoromethylthio substituted acetophenone compound | 丽水学院 | 2021-06-25 | — | — | CN | disclosed |
| CN-104945294-B | Compound containing trifluoromethylthio and preparation method thereof | 中国科学院上海有机化学研究所 | 2016-09-07 | — | — | CN | disclosed |
| CN-104945294-A | Compound containing trifluoromethylthio group and preparation method thereof | SHANGHAI INST ORGANIC CHEM | 2015-09-30 | — | — | CN | disclosed |