Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL28109404 | 0.98 | CES2 (0.39) | CES2CES1ALDH1A1HDAC3HDAC1 | |
| SCHEMBL3778175 | 0.83 | CES2 (0.40) | CES2CES1ALDH1A1HDAC3HDAC1 | |
| SCHEMBL27556568 | 0.82 | SOAT1 (0.33) | CES2ALDH1A1 | |
| SCHEMBL28324193 | 0.81 | ALDH1A1 (0.34) | CES2CES1ALDH1A1HDAC3HDAC1 | |
| Ammonia Solution, Strong SCHEMBL30991663 | 0.77 | ALDH1A1 (0.34) | CES2CES1ALDH1A1HDAC3HDAC1 | |
| SCHEMBL2414701 | 0.75 | HDAC1 (0.43) | CES2CES1ALDH1A1HDAC3HDAC1 | |
| SCHEMBL10969529 | 0.74 | EGLN1 (0.36) | CES2CES1ALDH1A1TSHR | |
| SCHEMBL10968337 | 0.71 | HDAC1 (0.40) | CES2CES1ALDH1A1HDAC3HDAC1 | |
| SCHEMBL810202 | 0.71 | — | — | |
| SCHEMBL7790150 | 0.71 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108218703-A | A kind of preparation method of 4,4- difluoros ethyl acetoacetate | 浙江蓝天环保高科技股份有限公司 | 2018-06-29 | — | — | CN | claimed |
| CN-108084093-A | The method of one pot process 3- difluoromethyl -1- methyl-1 H- pyrazoles -4- carboxylic acids | 湖南海利化工股份有限公司 | 2018-05-29 | — | — | CN | claimed |
| CN-105753791-B | Substituted uracil compound and application thereof | 沈阳中化农药化工研发有限公司 | 2019-09-13 | — | — | CN | disclosed |
| CN-105732585-B | Replace fragrant oxy picolinate class compound and application thereof | 沈阳中化农药化工研发有限公司 | 2019-03-01 | — | — | CN | disclosed |
| CN-108218703-A | A kind of preparation method of 4,4- difluoros ethyl acetoacetate | 浙江蓝天环保高科技股份有限公司 | 2018-06-29 | — | — | CN | disclosed |
| CN-108084093-A | The method of one pot process 3- difluoromethyl -1- methyl-1 H- pyrazoles -4- carboxylic acids | 湖南海利化工股份有限公司 | 2018-05-29 | — | — | CN | disclosed |
| CN-107501182-A | The trifluoromethyl of 1 substituted-phenyl 5（Difluoromethyl）4 pyrazole carboxylic acid synthetic methods | 中国农业大学 | 2017-12-22 | — | — | CN | disclosed |
| CN-104797575-B | Homopiperony lamine class compound and application thereof | 沈阳中化农药化工研发有限公司 | 2017-06-06 | — | — | CN | disclosed |
| CN-104447328-B | Method for preparing alkyl 4,4-difluoroacetylacetate | 金凯(辽宁)化工有限公司 | 2017-05-17 | — | — | CN | disclosed |
| CN-104684900-B | Substituted pyrimidine compound and uses thereof | 沈阳中化农药化工研发有限公司 | 2017-04-12 | — | — | CN | disclosed |
| CN-105753791-A | Substituted pyrimidine compound and use thereof | 沈阳中化农药化工研发有限公司 | 2016-07-13 | — | — | CN | disclosed |
| CN-105732585-A | Substituted aryloxypyridine compound and application thereof | 沈阳中化农药化工研发有限公司 | 2016-07-06 | — | — | CN | disclosed |
| CN-104797575-A | Homopiperony lamine compound and use thereof | SINOCHEM CORP | 2015-07-22 | — | — | CN | disclosed |
| CN-104684900-A | Substituted pyrimidine compound and uses thereof | SINOCHEM CORP | 2015-06-03 | — | — | CN | disclosed |