Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.44 |
| ▸ | CES1 | P23141 | 4/20 | 0.44 |
| ▸ | IDO1 | P14902 | 3/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | MC4R | P32245 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28247950 | 0.83 | CES2 (0.46) | CES2CES1IDO1TDO2ALDH1A1 | |
| SCHEMBL8357188 | 0.83 | CES2 (0.46) | CES2CES1IDO1TDO2ALDH1A1 | |
| SCHEMBL3833105 | 0.80 | CES2 (0.47) | CES2CES1IDO1TDO2ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL28984733 | 0.74 | CES2 (0.43) | CES2CES1IDO1TDO2ALDH1A1 | |
| SCHEMBL3371037 | 0.74 | CES2 (0.43) | CES2CES1IDO1TDO2ALDH1A1 | |
| SCHEMBL28193460 | 0.74 | CES2 (0.43) | CES2CES1IDO1TDO2ALDH1A1 | |
| SCHEMBL23231392 | 0.73 | ALDH1A1 (0.48) | CES2CES1IDO1TDO2ALDH1A1 | |
| SCHEMBL28395189 | 0.73 | CES2 (0.46) | CES2CES1IDO1TDO2ALDH1A1 | |
| SCHEMBL3909922 | 0.73 | CES2 (0.55) | CES2CES1IDO1TDO2ALDH1A1 | |
| SCHEMBL84105 | 0.73 | CES2 (0.46) | CES2CES1IDO1TDO2ALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117486706-B | Synthesis method of 2,4, 5-trifluoro phenylacetic acid | 山东国邦药业有限公司 | 2024-04-19 | — | — | CN | disclosed |
| CN-117486706-A | Synthesis method of 2,4, 5-trifluoro phenylacetic acid | 山东国邦药业有限公司 | 2024-02-02 | — | — | CN | disclosed |
| CN-117466729-A | Synthesis method of 2,4, 5-trifluoro phenylacetic acid | 山东国邦药业有限公司 | 2024-01-30 | — | — | CN | disclosed |
| CN-114853560-B | Preparation method of 2,4, 5-trifluoro-benzyl bromide and 2,4, 5-trifluoro-benzoic acid | 湖南复瑞生物医药技术有限责任公司 | 2023-04-21 | — | — | CN | disclosed |
| CN-1013370-B | Process for preparing derivatives of 2, 4, 5-trihalobenzenes and 2, 3, 4, 5-tetrahalobenzenes | BAYER AG (DE) | 1991-07-31 | — | — | CN | disclosed |
| CN-85101737-A | Preparation 2,4,5-trihalogenated benzene and 2,3,4, the derivative method of 5-tetrahalogeno-benzene | — | 1987-01-31 | — | — | CN | disclosed |