Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.42 |
| ▸ | CES1 | P23141 | 3/20 | 0.42 |
| ▸ | IDO1 | P14902 | 3/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MC4R | P32245 | 1/20 | 0.36 |
| ▸ | AGXT | P21549 | 2/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28067331 | 0.88 | CES2 (0.41) | CES2CES1IDO1TDO2SLC6A2 | |
| SCHEMBL14539581 | 0.79 | CES2 (0.47) | CES2CES1IDO1TDO2SLC6A2 | |
| SCHEMBL10306200 | 0.79 | CES2 (0.47) | CES2CES1IDO1TDO2SLC6A2 | |
| SCHEMBL28169688 | 0.79 | CES2 (0.40) | CES2CES1IDO1TDO2SLC6A2 | |
| SCHEMBL28155953 | 0.79 | CES2 (0.47) | CES2CES1IDO1TDO2SLC6A2 | |
| SCHEMBL28087367 | 0.79 | CES2 (0.35) | CES2CES1IDO1TDO2SLC6A2 | |
| SCHEMBL8411824 | 0.78 | CES2 (0.46) | CES2CES1IDO1TDO2SLC6A2 | |
| SCHEMBL11074557 | 0.78 | CYP3A4 (0.45) | CES2CES1IDO1TDO2SLC6A2 | |
| SCHEMBL19697077 | 0.78 | MC4R (0.42) | CES2CES1IDO1TDO2SLC6A2 | |
| SCHEMBL24059349 | 0.75 | CES2 (0.37) | CES2CES1IDO1TDO2SLC6A2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105753692-B | One kind 2 methylpropanoic acids of synthesis [(2S) 4（2,4 difluorophenyls）The base of 2 methylol, 4 amylene 1] ester method | 宁波新凯生物科技有限公司 | 2017-12-26 | — | — | CN | claimed |
| CN-105732311-B | The method of one kind 2 [base of 2 (2,4 difluorophenyl) 2 propylene 1] 1,3 propane diols of synthesis | 宁波新凯生物科技有限公司 | 2017-12-22 | — | — | CN | claimed |
| CN-114409505-B | Preparation method of posaconazole intermediate | 山东金城医药研究院有限公司 | 2023-10-17 | — | — | CN | disclosed |
| CN-114409505-A | Preparation method of posaconazole intermediate | 山东金城医药研究院有限公司 | 2022-04-29 | — | — | CN | disclosed |
| CN-105753692-B | One kind 2 methylpropanoic acids of synthesis [(2S) 4（2,4 difluorophenyls）The base of 2 methylol, 4 amylene 1] ester method | 宁波新凯生物科技有限公司 | 2017-12-26 | — | — | CN | disclosed |
| CN-105732311-B | The method of one kind 2 [base of 2 (2,4 difluorophenyl) 2 propylene 1] 1,3 propane diols of synthesis | 宁波新凯生物科技有限公司 | 2017-12-22 | — | — | CN | disclosed |
| CN-105622412-B | The method of one kind 2 [2 (2,4 difluorophenyl) pi-allyl] 1,3 diethyl malonates of synthesis | 宁波新凯生物科技有限公司 | 2017-11-24 | — | — | CN | disclosed |
| CN-105601469-B | The synthetic method of 1 (1 chloromethyl vinyl base) 2,4 difluorobenzenes | 宁波新凯生物科技有限公司 | 2017-07-25 | — | — | CN | disclosed |
| CN-105753692-A | Method for synthesizing 2-methyl propionate-[(2S)-4-(2,4-diflurophenyl)-2-hydroxymethyl-4-amylene-1-group] ester | 宁波新凯生物科技有限公司 | 2016-07-13 | — | — | CN | disclosed |
| CN-105732311-A | Method for synthesizing 2-[2-(2,4-difluorophenyl)-2-propylene-1-yl]-1,3-propylene glycol | 宁波新凯生物科技有限公司 | 2016-07-06 | — | — | CN | disclosed |
| CN-105622412-A | Method for synthesizing diethyl 2-[2-(2,4-difluorophenyl)allyl]-1,3-malonate | NINGBO XINKAI BIOTECHNOLOGY CO LTD | 2016-06-01 | — | — | CN | disclosed |
| CN-105601469-A | Synthesizing method of 1-(1-chloromethyl vinyl)-2, 4-difluorobenzene | NINGBO XINKAI BIOTECHNOLOGY CO LTD | 2016-05-25 | — | — | CN | disclosed |