Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | HTR3A | P46098 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 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 | |
|---|---|---|---|---|
| SCHEMBL700366 | 1.00 | TRPA1 (0.44) | TRPA1ATMCYP1A2CYP3A4HTR1A | |
| SCHEMBL3014828 | 0.86 | ALDH1A1 (0.40) | CYP3A4TSHRACHEALDH1A1MAPT | |
| Ammonia Solution, Strong SCHEMBL7190297 | 0.83 | ALDH1A1 (0.39) | CYP3A4TSHRACHEALDH1A1MAPT | |
| SCHEMBL29589002 | 0.81 | HTR1A (0.53) | TRPA1ATMCYP1A2CYP3A4HTR1A | |
| SCHEMBL576045 | 0.81 | HTR1A (0.53) | TRPA1ATMCYP1A2CYP3A4HTR1A | |
| SCHEMBL29687933 | 0.81 | HTR1A (0.53) | TRPA1ATMCYP1A2CYP3A4HTR1A | |
| SCHEMBL576522 | 0.81 | TRPA1 (0.46) | TRPA1ATMCYP1A2CYP3A4HTR1A | |
| SCHEMBL29722887 | 0.78 | — | — | |
| SCHEMBL407202 | 0.78 | — | — | |
| SCHEMBL2320126 | 0.77 | CYP2A6 (0.38) | TRPA1ATMCYP1A2CYP2A6TSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116947716-A | Preparation method of 2, 3-dimethyl-4-methylsulfonyl methyl benzoate | 绍兴贝斯美化工股份有限公司 | 2023-10-27 | — | — | CN | claimed |
| CN-116947775-A | Preparation method of 3- (4, 5-dihydro-3-isoxazolyl) -2-methyl-4-methylsulfonyl methyl benzoate | 绍兴贝斯美化工股份有限公司 | 2023-10-27 | — | — | CN | claimed |
| CN-116947716-A | Preparation method of 2, 3-dimethyl-4-methylsulfonyl methyl benzoate | 绍兴贝斯美化工股份有限公司 | 2023-10-27 | — | — | CN | disclosed |
| CN-116947775-A | Preparation method of 3- (4, 5-dihydro-3-isoxazolyl) -2-methyl-4-methylsulfonyl methyl benzoate | 绍兴贝斯美化工股份有限公司 | 2023-10-27 | — | — | CN | disclosed |
| CN-115970605-A | Device and method for continuously preparing 2,3-dimethyl phenyl sulfide | 沈阳化工研究院有限公司 | 2023-04-18 | — | — | CN | disclosed |