Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | ACP3 | P15309 | 1/20 | 0.36 |
| ▸ | MC4R | P32245 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30276914 | 0.83 | ALDH1A1 (0.37) | TSHRALDH1A1CYP2C19CYP2C9 | |
| SCHEMBL8683054 | 0.83 | ALDH1A1 (0.37) | TSHRALDH1A1CYP2C19CYP2C9 | |
| SCHEMBL7236152 | 0.82 | ESR1 (0.46) | ESR1ACHETSHRALDH1A1ACP3 | |
| SCHEMBL8002954 | 0.77 | P2RX7 (0.36) | TSHRALDH1A1SLC6A2CYP3A4HTR2C | |
| SCHEMBL7786029 | 0.76 | ESR1 (0.45) | ESR1ACHETSHRALDH1A1ACP3 | |
| SCHEMBL1248016 | 0.75 | ESR1 (0.54) | ESR1ACHETSHRALDH1A1ACP3 | |
| SCHEMBL4430667 | 0.75 | ESR1 (0.54) | ESR1ACHETSHRALDH1A1ACP3 | |
| SCHEMBL27278470 | 0.75 | ESR1 (0.41) | ESR1ACHETSHRALDH1A1ACP3 | |
| SCHEMBL27934664 | 0.74 | CA1 (0.48) | ACHETSHRALDH1A1MC4RCYP2D6 | |
| SCHEMBL624799 | 0.73 | ESR1 (0.52) | ESR1ACHETSHRALDH1A1ACP3 |
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-110862292-B | Preparation method of 1-aryl-1, 2-dibromoethane | 中国科学院兰州化学物理研究所 | 2021-04-06 | — | — | CN | disclosed |
| CN-110862292-A | Preparation method of 1-aryl-1, 2-dibromoethane | 中国科学院兰州化学物理研究所 | 2020-03-06 | — | — | CN | disclosed |