Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 13/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 13/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.38 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.38 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.38 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30231208 | 1.00 | AKR1C3 (0.44) | AKR1C3AKR1C2AKR1C1PTGS1AKR1B10 | |
| SCHEMBL5151815 | 0.86 | AKR1C3 (0.40) | AKR1C3AKR1C2AKR1C1PTGS1AKR1B10 | |
| SCHEMBL28135500 | 0.83 | AKR1C3 (0.34) | AKR1C3AKR1C2PDE2A | |
| SCHEMBL5150294 | 0.81 | AKR1C3 (0.44) | AKR1C3AKR1C2 | |
| SCHEMBL28087492 | 0.80 | POLB (0.36) | AKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL16963923 | 0.80 | CES2 (0.46) | AKR1C3AKR1C2AKR1C1PTGS1AKR1B10 | |
| SCHEMBL154992 | 0.79 | AKR1C3 (0.40) | AKR1C3AKR1C2AKR1C1PTGS1AKR1B10 | |
| SCHEMBL19200334 | 0.79 | AKR1C3 (0.50) | AKR1C3AKR1C2AKR1C1PTGS1AKR1B10 | |
| SCHEMBL2430732 | 0.79 | AKR1C3 (0.38) | AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4 | |
| SCHEMBL2637191 | 0.78 | FPR2 (0.47) | AKR1C3AKR1C2AKR1C1PTGS1AKR1B10 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109896980-A | A kind of biological synthesis method of sitagliptin intermediate | 浙江九洲药业股份有限公司 | 2019-06-18 | — | — | CN | claimed |
| CN-104130149-A | Recycling method of 3-(S)-aminobutyric acid derivative | ZHEJIANG CHANGMING PHARMACEUTICAL CO LTD | 2014-11-05 | — | — | CN | claimed |
| EP-4281439-A1 | SMALL MOLECULE REGULATORS OF ALVEOLAR TYPE 2 CELL PROLIFERATION FOR THE TREATMENT OF PULMONARY DISEASES | The Scripps Research Institute (US) | 2023-11-29 | — | — | EP | disclosed |
| WO-2022159955-A1 | SMALL MOLECULE REGULATORS OF ALVEOLAR TYPE 2 CELL PROLIFERATION FOR THE TREATMENT OF PULMONARY DISEASES | THE SCRIPPS RESEARCH INSTITUTE (US) | 2022-07-28 | — | — | WO | disclosed |
| CN-109896980-A | A kind of biological synthesis method of sitagliptin intermediate | 浙江九洲药业股份有限公司 | 2019-06-18 | — | — | CN | disclosed |
| CN-109824546-A | BOC- (R) -3- amino -4- (2,4,5- trifluorophenyl) butyric acid is condensed impurity and preparation method thereof | 浙江永太科技股份有限公司 | 2019-05-31 | — | — | CN | disclosed |
| CN-109721555-A | Acylated piperazine class compound and application thereof | 广东东阳光药业有限公司 | 2019-05-07 | — | — | CN | disclosed |
| CN-105331651-B | The enzyme-chemically preparation method of sitagliptin and its intermediate | 尚科生物医药（上海）有限公司 | 2018-11-13 | — | — | CN | disclosed |
| CN-106478460-B | A kind of synthetic method of chirality N-Boc-3- amino -4- aryl-butyric acid | 衢州学院 | 2018-06-12 | — | — | CN | disclosed |
| CN-106478460-A | A kind of synthetic method of 3 amino of chirality N Boc, 4 aryl butyric acid | 衢州学院 | 2017-03-08 | — | — | CN | disclosed |
| CN-102574856-B | The synthesis of sitagliptin | 基因里克斯(英国)有限公司 | 2016-09-21 | — | — | CN | disclosed |
| CN-104159886-A | Preparation of optically pure beta-amino acid active pharmaceutical ingredients and intermediates thereof | LEK PHARMACEUTICALS | 2014-11-19 | — | — | CN | disclosed |
| CN-104130149-A | Recycling method of 3-(S)-aminobutyric acid derivative | ZHEJIANG CHANGMING PHARMACEUTICAL CO LTD | 2014-11-05 | — | — | CN | disclosed |
| EP-2415754-A2 | IMPROVED METHOD FOR MANUFACTURING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE | Dong-A Pharmaceutical Co., Ltd. (KR) | 2012-02-08 | — | — | EP | disclosed |
| WO-2011049344-A2 | METHOD OF PREPARING SITAGLIPTIN AND INTERMEDIATES USED THEREIN | HANMI HOLDINGS CO., LTD. (KR) | 2011-04-28 | — | — | WO | disclosed |