Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.73 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.73 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | STAT6 | P42226 | 1/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.63 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.63 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.63 |
| ▸ | HTR1A | P08908 | 1/20 | 0.60 |
| ▸ | HTR2A | P28223 | 1/20 | 0.60 |
| ▸ | HTR7 | P34969 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.58 |
| ▸ | HPGD | P15428 | 4/20 | 0.58 |
| ▸ | POLB | P06746 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | IDO1 | P14902 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL28714548 | 1.00 | CYP1A2 (0.73) | CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL5837665 | 0.85 | CYP1A2 (1.00) | CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL6141647 | 0.80 | CYP1A2 (0.83) | CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL745752 | 0.79 | CYP1A2 (0.80) | CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL9532439 | 0.79 | CYP1A2 (0.80) | CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9 | |
| Bromide SCHEMBL5084016 | 0.79 | CYP1A2 (0.80) | CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL10764021 | 0.79 | CYP1A2 (1.00) | CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL8414134 | 0.79 | CYP1A2 (0.80) | CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL266476 | 0.79 | CYP1A2 (0.80) | CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL29395006 | 0.79 | CYP1A2 (0.80) | CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9 |
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-114149405-B | Method for synthesizing aromatic thioether through aromatic exchange bimetallic catalysis and application thereof | 中国科学院大学 | 2023-08-01 | — | — | CN | disclosed |
| CN-114149405-A | Method for synthesizing aromatic thioether through aromatic exchange bimetallic catalysis and application | 中国科学院大学 | 2022-03-08 | — | — | CN | disclosed |