Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Dioxane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.54 |
| ▸ | LCK | P06239 | 1/20 | 0.54 |
| ▸ | FYN | P06241 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | TTR | P02766 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL8865239 | 1.00 | FFAR3 (0.54) | FFAR3LCKFYNSMN1; SMN2TTR | |
| Dioxane SCHEMBL29086945 | 1.00 | FFAR3 (0.54) | FFAR3LCKFYNSMN1; SMN2TTR | |
| Dioxane SCHEMBL13835213 | 0.96 | SMN1; SMN2 (0.50) | FFAR3LCKFYNSMN1; SMN2TTR | |
| Dioxane SCHEMBL8100844 | 0.96 | SMN1; SMN2 (0.50) | FFAR3LCKFYNSMN1; SMN2TTR | |
| Dioxane SCHEMBL29064211 | 0.96 | SMN1; SMN2 (0.50) | FFAR3LCKFYNSMN1; SMN2TTR | |
| Acetic Acid SCHEMBL4305539 | 0.96 | — | — | |
| Acetic Acid SCHEMBL19973141 | 0.96 | FFAR3 (0.58) | FFAR3LCKFYNSMN1; SMN2TTR | |
| Acetic Acid SCHEMBL1674890 | 0.96 | FFAR3 (0.58) | FFAR3LCKFYNSMN1; SMN2TTR | |
| Dioxane SCHEMBL10973397 | 0.93 | SMN1; SMN2 (0.48) | FFAR3LCKFYNSMN1; SMN2TTR | |
| Acetic Acid SCHEMBL5370932 | 0.92 | — | — |
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 139 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114181137-A | Para-aryl substituted pyridinium derivative electrochromic material and preparation method thereof | 黎伟麒 | 2022-03-15 | — | — | CN | claimed |
| EP-0113409-B1 | METHOD AND COMPOSITION FOR APPLYING COATINGS ON PRINTED CIRCUIT BOARDS, AND PROCESS FOR MAKING SAID COMPOSITION | International Business Machines Corporation (US) | 1989-02-01 | — | — | EP | claimed |
| US-4440690-A | Process for the synthesis of 6-bromo-17,21-dihydroxy 3,11,20-trioxo-1,4-pregnadienes 17,21-diesters | SCHERING CORPORATION (US) | 1984-04-03 | — | — | US | claimed |
| JP-60142991-A | — | — | None | — | — | JP | disclosed |
| JP-2029749-A | — | — | None | — | — | JP | disclosed |
| EP-3841141-B1 | A COMPOSITION, PREPARATION METHOD AND APPLICATION THEREOF | COVESTRO DEUTSCHLAND AG (DE) | 2025-01-01 | — | — | EP | disclosed |
| US-20240166774-A1 | METHOD FOR PREPARING SUPPORTED OLEFIN POLYMERIZATION CATALYST, RESULTING CATALYST AND APPLICATION THEREOF | ZHEJIANG UNIVERSITY (CN) | 2024-05-23 | — | — | US | disclosed |
| US-11965092-B2 | Polyurethane composition, preparation method and application thereof | COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) | 2024-04-23 | — | — | US | disclosed |
| US-11965108-B2 | Composition, preparation method and application thereof | COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) | 2024-04-23 | — | — | US | disclosed |
| US-20230381180-A1 | SMALL MOLECULE MODULATORS OF KSR-BOUND MEK | ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI | 2023-11-30 | — | — | US | disclosed |
| EP-4273177-A1 | METHOD FOR PREPARING SUPPORTED OLEFIN POLYMERIZATION CATALYST, RESULTING CATALYST AND APPLICATION THEREOF | Zhejiang University (CN) | 2023-11-08 | — | — | EP | disclosed |
| JP-S60142991-A | 5-DIDEHYDROMILBEMYCIN 5-OXIME DERIVATIVE | SANKYO CO LTD | 1985-07-29 | — | — | JP | disclosed |
| US-4440690-A | Process for the synthesis of 6-bromo-17,21-dihydroxy 3,11,20-trioxo-1,4-pregnadienes 17,21-diesters | SCHERING CORPORATION (US) | 1984-04-03 | — | — | US | disclosed |
| US-4431587-A | AMINO ACID DERIVATIVE ANTIVBIOTICS | BEECHAM GROUP LIMITED (GB) | 1984-02-14 | — | — | US | disclosed |
| US-4405637-A | CARBAPENICILLIN | BEECHAM GROUP LIMITED (GB) | 1983-09-20 | — | — | US | disclosed |
| US-4401595-A | 4-Allyl azetidinone intermediate for β-lactam antibacterial agents | BEECHAM GROUP LIMITED (GB) | 1983-08-30 | — | — | US | disclosed |
| US-4350703-A | β-Lactam antibacterial agents | BEECHAM GROUP LIMITED (GB) | 1982-09-21 | — | — | US | disclosed |
| US-4287041-A | Process for electrodeposition of cationic resins | KANSAI PAINT CO., LTD. (JP) | 1981-09-01 | — | — | US | disclosed |
| US-4274989-A | Cationic electrodepositable resin composition | KANSAI PAINT CO., LTD. (JP) | 1981-06-23 | — | — | US | disclosed |
| US-4258062-A | ISOPRENALINE ANTAGONISTS EFFECTING HEART RATE AND BLOOD PRESSURE | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1981-03-24 | — | — | 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 (1 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-20230381180-A1 | SMALL MOLECULE MODULATORS OF KSR-BOUND MEK | KSR1, KSR2, BRAF | FFAR3 1410/4885LCK 618/4885FYN 1873/4885 |
“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.