Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28102843 | 0.87 | MAPT (0.43) | MEN1KMT2ANPSR1ALDH1A1MAPT | |
| SCHEMBL28032790 | 0.85 | ALDH1A1 (0.48) | MEN1NPC1KMT2ACA12CA1 | |
| SCHEMBL28032287 | 0.79 | CES1 (0.44) | ALDH1A1MAPTPGRADRA2AADRA2B | |
| SCHEMBL28032803 | 0.77 | KMT2A (0.49) | MEN1KMT2AALDH1A1MAPTHTT | |
| SCHEMBL10971978 | 0.75 | MEN1 (0.47) | MEN1NPC1KMT2APIN1POLB | |
| SCHEMBL8380017 | 0.75 | MEN1 (0.53) | MEN1NPC1KMT2APIN1POLB | |
| SCHEMBL31420000 | 0.74 | NPC1 (0.56) | MEN1NPC1KMT2APIN1POLB | |
| SCHEMBL7495155 | 0.74 | NPC1 (0.56) | MEN1NPC1KMT2APIN1POLB | |
| SCHEMBL28226195 | 0.74 | NPC1 (0.59) | MEN1NPC1KMT2APIN1POLB | |
| SCHEMBL27715083 | 0.74 | NPC1 (0.59) | MEN1NPC1KMT2APIN1POLB |
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-108569942-A | A kind of preparation method of α-trifluoromethylthio substituted acetophenone class compound | 丽水学院 | 2018-09-25 | — | — | CN | disclosed |
| CN-104945294-A | Compound containing trifluoromethylthio group and preparation method thereof | SHANGHAI INST ORGANIC CHEM | 2015-09-30 | — | — | CN | disclosed |