Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.48 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | CES2 | O00748 | 4/20 | 0.45 |
| ▸ | MLYCD | O95822 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 2/20 | 0.42 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.42 |
| ▸ | XBP1 | P17861 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5819903 | 0.98 | CES1 (0.47) | CES1PGRADRA2AADRA2BHTR2A | |
| SCHEMBL19863252 | 0.89 | SMN1; SMN2 (0.53) | L3MBTL1LMNASMN1; SMN2MAPTKMT2A | |
| SCHEMBL19863243 | 0.84 | KMO (0.51) | TDP1LMNAPTPN1MAPT | |
| SCHEMBL19863258 | 0.84 | CES1 (0.45) | CES1PGRADRA2AADRA2BHTR2A | |
| SCHEMBL19863241 | 0.82 | CES1 (0.44) | CES1PGRADRA2AADRA2BHTR2A | |
| SCHEMBL19863238 | 0.82 | CA2 (0.48) | CES1ADRA2BTDP1LMNACES2 | |
| SCHEMBL15658023 | 0.81 | PGR (0.48) | CES1PGRADRA2AADRA2BHTR2A | |
| SCHEMBL19866845 | 0.80 | GSK3B (0.61) | CES1CES2PTPN1KMT2ATSHR | |
| SCHEMBL19863240 | 0.80 | SLC6A2 (0.51) | KCNH2TDP1SMN1; SMN2ATMKMT2A | |
| SCHEMBL27988949 | 0.79 | PGR (0.47) | CES1PGRADRA2AADRA2BHTR2A |
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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106029620-B | The manufacture method of 2 ' trifluoromethyl substituted aroma race ketone | 东丽精细化工株式会社 | 2018-01-30 | — | — | CN | claimed |
| CN-106029620-A | Method for producing 2'-trifluoromethyl group-substituted aromatic ketone | 东丽精细化工株式会社 | 2016-10-12 | — | — | CN | claimed |
| CN-104311397-A | Novel fluorine-containing bisphenol compound and preparation method thereof | WUHAN INST OF SHIPBUILDING TECHNOLOGY CO LTD | 2015-01-28 | — | — | CN | claimed |
| JP-3077841-A | — | — | None | — | — | JP | disclosed |
| CN-114456098-B | Preparation method of medicine Ai Shali ketone for treating diabetic nephropathy | 大连理工大学 | 2024-06-14 | — | — | CN | disclosed |
| CN-115974721-A | Method for synthesizing 2-carbonyl substituted nitrile compound through 2,2,2-trifluoroethyl ketone | 平顶山学院 | 2023-04-18 | — | — | CN | disclosed |
| CN-114456098-A | Preparation method of diabetic nephropathy medicine namely elsamiloride | 大连理工大学 | 2022-05-10 | — | — | CN | disclosed |
| CN-108569942-B | Preparation method of alpha-trifluoromethylthio substituted acetophenone compound | 丽水学院 | 2021-06-25 | — | — | CN | disclosed |
| CN-106496127-B | A kind of preparation method of polysubstituted pyrimidine | 苏州大学 | 2019-09-27 | — | — | CN | disclosed |
| US-9983475-B2 | Fluorinated sulfonate esters of aryl ketones for non-ionic photo-acid generators | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2018-05-29 | — | — | US | disclosed |
| US-9983475-B2 | Fluorinated sulfonate esters of aryl ketones for non-ionic photo-acid generators | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2018-05-29 | — | — | US | disclosed |
| WO-2006112565-A1 | THERAPEUTIC DRUGS FOR POLLAKIURIA AND URINARY INCONTINENCE CONTAINING OPTICAL ACTIVE PROPIOPHENON AND ITS SALTS | DREAMPHARMA CORP. (KR) | 2006-10-26 | — | — | WO | disclosed |
| CN-1090617-C | Pyrrole derivatives and pharmaceutical compositions | NIPPON SHINYAKU CO LTD (JP) | 2002-09-11 | — | — | CN | disclosed |
| CN-1349796-A | Pyrrole derivatives and medicine composition | NIPPON SHINYAKU CO LTD (JP) | 2002-05-22 | — | — | CN | disclosed |
| CN-1049884-C | Synthesis process of methylbenzyl acetone trihalide | PUDONG PHARMACEUTICAL FACTORY (CN) | 2000-03-01 | — | — | CN | disclosed |
| CN-1186485-A | Pyrrole derivatives and pharmaceutical compositions | NIPPON SHINYAKU CO LTD (JP) | 1998-07-01 | — | — | CN | disclosed |
| CN-1174187-A | Synthesis process of methylbenzyl acetone trihalide | PUDONG PHARMACEUTICAL FACTORY (CN) | 1998-02-25 | — | — | CN | disclosed |
| JP-H0377841-A | UNSATURATED KETONES HAVING TRIFLUOROMETHYL GROUP | SAGAMI CHEM RES CENTER | 1991-04-03 | — | — | JP | disclosed |
| US-4596816-A | Pharmaceuticals | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1986-06-24 | — | — | US | disclosed |
| EP-0092239-A2 | Oxazole derivatives, production and use thereof | Takeda Chemical Industries, Ltd. (JP) | 1983-10-26 | — | — | EP | disclosed |