Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | MMP1 | P03956 | 1/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
| ▸ | MMP8 | P22894 | 1/20 | 0.50 |
| ▸ | MMP13 | P45452 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Acetone SCHEMBL2978474 | 0.98 | GAA (0.52) | GAALMNAALDH1A1SMN1; SMN2MAPT | |
| Acetic Acid SCHEMBL443433 | 0.93 | SMN1; SMN2 (0.52) | GAALMNAALDH1A1SMN1; SMN2MAPT | |
| P-Xylene SCHEMBL8660591 | 0.93 | GAA (0.62) | GAALMNAALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL34 | 0.93 | GAA (0.62) | GAALMNAALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL5068661 | 0.93 | GAA (0.62) | GAALMNAALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL1705904 | 0.93 | GAA (0.62) | GAALMNAALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL31313 | 0.93 | GAA (0.62) | GAALMNAALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL11432043 | 0.93 | GAA (0.62) | GAALMNAALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL29991938 | 0.93 | GAA (0.62) | GAALMNAALDH1A1SMN1; SMN2MAPT | |
| Acetic Acid SCHEMBL10412876 | 0.91 | LMNA (0.50) | GAALMNAALDH1A1SMN1; SMN2MAPT |
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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117756635-A | Ester compound and preparation method and application thereof, and preparation method of (E, E, Z) -2,4, 6-methyltrienoic acid methyl ester | 昆明博鸿科技有限公司 | 2024-03-26 | — | — | CN | claimed |
| CN-103981727-B | A kind of vapor-permeable type collagenous fibres/PVC composite artificial leather and production method thereof | SHAANXI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2016-02-10 | — | — | CN | claimed |
| CN-103981727-A | Permeable collagen fiber/PVC composite artificial leather and production method thereof | UNIV SHAANXI SCIENCE & TECH | 2014-08-13 | — | — | CN | claimed |
| CN-117756635-A | Ester compound and preparation method and application thereof, and preparation method of (E, E, Z) -2,4, 6-methyltrienoic acid methyl ester | 昆明博鸿科技有限公司 | 2024-03-26 | — | — | CN | disclosed |
| CN-112451502-B | Formulation of 2- (tert-butylamino) -4- ((1R, 3R, 4R) -3-hydroxy-4-methylcyclohexylamino) -pyrimidine-5-carboxamide | 西格诺药品有限公司 | 2023-10-27 | — | — | CN | disclosed |
| CN-109526221-B | Crystalline salt form of a kinase inhibitor | 分子技术有限公司 | 2022-06-21 | — | — | CN | disclosed |
| EP-3456720-B1 | NOVEL CRYSTALLINE SALT FORM OF 2,2-DIMETHYL-6-((4-((3,4,5-TRIMETHOXYPHENYL)AMINO)-1,3,5-TRIAZIN-2-YL)AMINO)-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE FOR MEDICAL APPLICATION | LIMITED MOLECULAR TECH (RU) | 2021-06-30 | — | — | EP | disclosed |
| WO-2021061081-A1 | A TEXTILE PRODUCT CONTAINING PHASE CHANGE MATERIAL AND A METHOD FOR OBTAINING THEREOF | ISTANBUL KULTUR UNIVERSITESI (TR) | 2021-04-01 | — | — | WO | disclosed |
| US-10745414-B2 | Crystal salt form of 2,2-dimethyl-6-((4-((3,4,5-trimethoxyphenyl)amino)-1,3,5-triazine-2-yl)amino)-2H-pyrido[3,2-b][1,4]oxazine-3(4H)-one for human use | LIMITED “MOLECULAR TECHNOLOGIES” (RU) | 2020-08-18 | — | — | US | disclosed |
| US-20190292198-A1 | A NEW CRYSTAL SALT FORM OF 2,2-DIMETHYL-6-((4-((3,4,5-TRIMETHOXYPHENYL)AMINO)-1,3,5-TRIAZINE-2-YL)AMINO)-2H PYRIDO[3,2-B][1,4]OXAZINE-3(4H)-ONE FOR HUMAN USE | LIMITED "MOLECULAR TECHNOLOGIES" (RU) | 2019-09-26 | — | — | US | disclosed |
| EP-3456720-A1 | NOVEL CRYSTALLINE SALT FORM OF 2,2-DIMETHYL-6-((4-((3,4,5-TRIMETHOXYPHENYL)AMINO)-1,3,5-TRIAZIN-2-YL)AMINO)-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE FOR MEDICAL APPLICATION | Limited "Molecular Technologies" (RU) | 2019-03-20 | — | — | EP | disclosed |
| EP-0574386-A1 | NOVEL PROCESS FOR THE PREPARATION OF NUCLEOTIDES | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) | 1993-12-22 | — | — | EP | disclosed |
| EP-0574386-A4 | NOVEL PROCESS FOR THE PREPARATION OF NUCLEOTIDES. | BRISTOL MYERS SQUIBB CO (US) | 1993-10-27 | — | — | EP | disclosed |
| EP-0252503-B1 | AMINOIMIDAZOQUINOLINE DERIVATIVES | Bristol-Myers Squibb Company (US) | 1992-11-19 | — | — | EP | disclosed |
| WO-1992002511-A1 | NOVEL PROCESS FOR THE PREPARATION OF NUCLEOTIDES | BRISTOL-MYERS SQUIBB COMPANY (US) | 1992-02-20 | — | — | WO | disclosed |
| US-4898694-A | 17-Hydroxy-steroids | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 1990-02-06 | — | — | US | disclosed |
| EP-0210665-B1 | STEROIDS USEFUL AS ANTI-CANCER, ANTI-OBESITY, ANTI-HYPERGLYCEMIC, ANTI-AUTOIMMUNE AND ANTI-HYPER-CHOLESTEROLEMIC AGENTS | Research Corporation (US) | 1989-10-18 | — | — | EP | disclosed |
| EP-0252503-A1 | Aminoimidazoquinoline derivatives | Bristol-Myers Squibb Company (US) | 1988-01-13 | — | — | EP | disclosed |
| EP-0210665-A1 | Steroids useful as anti-cancer, anti-obesity, anti-hyperglycemic, anti-autoimmune and anti-hyper-cholesterolemic agents | Research Corporation (US) | 1987-02-04 | — | — | EP | disclosed |
| US-4613464-A | Process for the preparation of anthracyclinones | HOECHST AKTIENGESELLSCHAFT (DE) | 1986-09-23 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-10745414-B2 | Crystal salt form of 2,2-dimethyl-6-((4-((3,4,5-trimethoxyphenyl)amino)-1,3,5-triazine-2-yl)amino)-2H-pyrido[3,2-b][1,4]oxazine-3(4H)-one for human use | SYK, SRC, JAK2 | GAA 4203/4885LMNA 4722/4885ALDH1A1 2478/4885 |
| US-20190292198-A1 | A NEW CRYSTAL SALT FORM OF 2,2-DIMETHYL-6-((4-((3,4,5-TRIMETHOXYPHENYL)AMINO)-1,3,5-TRIAZINE-2-YL)AMINO)-2H PYRIDO[3,2-B][1,4]OXAZINE-3(4H)-ONE FOR HUMAN USE | SYK, SRC, JAK1 | GAA 3750/4885LMNA 4729/4885ALDH1A1 2041/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.