Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALPG | P10696 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 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 | |
|---|---|---|---|---|
| SCHEMBL5929243 | 0.79 | KIF11 (0.47) | — | |
| SCHEMBL3188690 | 0.77 | ACHE (0.41) | ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL7097603 | 0.77 | RAB9A (0.41) | ALDH1A1LMNA | |
| SCHEMBL7604782 | 0.77 | TSHR (0.48) | CES2CES1ALDH1A1LMNAALPG | |
| SCHEMBL5660658 | 0.77 | CES2 (0.38) | CES2CES1ALDH1A1LMNAALPG | |
| SCHEMBL16951204 | 0.77 | CES2 (0.38) | CES2CES1ALDH1A1LMNAALPG | |
| SCHEMBL4631294 | 0.77 | TSHR (0.48) | CES2CES1ALDH1A1LMNAALPG | |
| SCHEMBL3863536 | 0.77 | CYP11B1 (0.42) | CES2CES1LMNASMN1; SMN2ESR1 | |
| SCHEMBL29487196 | 0.77 | CES2 (0.38) | CES2CES1ALDH1A1LMNAALPG | |
| Hydrochloric Acid SCHEMBL22805502 | 0.75 | CES2 (0.37) | CES2CES1ALDH1A1LMNAALPG |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109928888-B | Preparation method of sitagliptin intermediate | 浙江瑞博制药有限公司 | 2023-04-11 | — | — | CN | claimed |
| CN-109956865-B | Preparation method of sitagliptin intermediate | 浙江瑞博制药有限公司 | 2022-09-13 | — | — | CN | claimed |
| CN-112851493-B | Preparation method of 2,4, 5-trifluoro phenylacetic acid | 台州臻挚生物科技有限公司 | 2022-09-06 | — | — | CN | claimed |
| 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-109928888-B | Preparation method of sitagliptin intermediate | 浙江瑞博制药有限公司 | 2023-04-11 | — | — | CN | disclosed |
| CN-115677477-A | Preparation method of 2,4, 5-trifluoro-phenylacetic acid and intermediate thereof | 上海康鹏科技股份有限公司 | 2023-02-03 | — | — | CN | disclosed |
| CN-217796104-U | Hydrolysis equipment for 2,4,5-trifluoro-phenylacetonitrile reaction | 福建润华化工有限公司 | 2022-11-15 | — | — | CN | disclosed |
| CN-217796104-U | Hydrolysis equipment for 2,4,5-trifluoro-phenylacetonitrile reaction | 福建润华化工有限公司 | 2022-11-15 | — | — | CN | disclosed |
| CN-109956865-B | Preparation method of sitagliptin intermediate | 浙江瑞博制药有限公司 | 2022-09-13 | — | — | CN | disclosed |
| CN-112851493-B | Preparation method of 2,4, 5-trifluoro phenylacetic acid | 台州臻挚生物科技有限公司 | 2022-09-06 | — | — | CN | disclosed |
| CN-113278996-A | Preparation method of 2, 4, 5-trifluorophenylacetic acid | 安徽海康药业有限责任公司 | 2021-08-20 | — | — | CN | disclosed |
| CN-112851493-A | Preparation method of 2,4, 5-trifluorophenylacetic acid | 杭州臻挚生物科技有限公司 | 2021-05-28 | — | — | CN | disclosed |
| CN-101659630-B | Method for preparing 2, 4, 5-trifluoro-phenylacetonitrile | ZHEJIANG YONGTAI TECHNOLOGY CO LTD | 2011-05-18 | — | — | CN | disclosed |
| CN-101659630-B | Method for preparing 2, 4, 5-trifluoro-phenylacetonitrile | ZHEJIANG YONGTAI TECHNOLOGY CO LTD | 2011-05-18 | — | — | CN | disclosed |
| WO-2010122578-A2 | PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND ITS INTERMEDIATES | MSN LABORATORIES LIMITED (IN) | 2010-10-28 | — | — | WO | disclosed |
| CN-101659630-A | Method for preparing 2, 4, 5-trifluoro-phenylacetonitrile | ZHEJIANG YONGTAI TECHNOLOGY CO | 2010-03-03 | — | — | CN | disclosed |
| CN-101659630-A | Method for preparing 2, 4, 5-trifluoro-phenylacetonitrile | ZHEJIANG YONGTAI TECHNOLOGY CO | 2010-03-03 | — | — | CN | disclosed |