Known targets — ChEMBL curated mechanism
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 | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| Dioxane SCHEMBL9684295 | 1.00 | TTR (0.55) | TTRCA1CA9HSD17B10CA2 | |
| Bicarbonate SCHEMBL2816423 | 0.96 | TTR (0.50) | TTRCA1CA9HSD17B10CA2 | |
| Dioxane SCHEMBL2027715 | 0.96 | TTR (0.50) | TTRCA1CA9HSD17B10CA2 | |
| Bicarbonate SCHEMBL5962646 | 0.95 | — | — | |
| Bicarbonate SCHEMBL28272626 | 0.91 | — | — | |
| Bicarbonate SCHEMBL10990877 | 0.91 | — | — | |
| Bicarbonate SCHEMBL28272628 | 0.91 | — | — | |
| Bicarbonate SCHEMBL1414989 | 0.87 | — | — | |
| Tetrahydrofuran SCHEMBL1950354 | 0.84 | — | — | |
| Tetrahydrofuran SCHEMBL16166505 | 0.84 | ALDH1A1 (0.61) | TTRCA1CA9HSD17B10CA2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0177728-A2 | Arphamenine derivatives, a process for their preparation and their use as medicament | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) | 1986-04-16 | — | — | EP | claimed |
| WO-2024044568-A1 | ANTIMICROBIAL POLYCARBONATE COATINGS | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2024-02-29 | — | — | WO | disclosed |
| CN-115867284-A | Heterocyclic compounds as trigger receptor 2 agonists expressed on myeloid cells and methods of use | 安进公司 | 2023-03-28 | — | — | CN | disclosed |
| CN-114181091-A | Synthesis process of adamantane triphenylamine | 苏州久显新材料有限公司 | 2022-03-15 | — | — | CN | disclosed |
| CN-110520428-A | The acrylic acid derivative of the bis- dewatering hexitols of 1,4:3,6- | ROQUETTE FRERES | 2019-11-29 | — | — | CN | disclosed |
| US-7737166-B2 | Antifungal bicyclic hetero ring compounds | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2010-06-15 | — | — | US | disclosed |
| US-20090143353-A1 | such as 2-tert-Butyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile hydrochloride, a 1,6-beta-glucan synthetase inhibitor having potent growth inhibition, used treating a fungal infections; fungicides | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2009-06-04 | — | — | US | disclosed |
| EP-1932837-A1 | BICYCLO HETEROCYCLIC COMPOUND HAVING ANTIFUNGAL ACTION | Daiichi Sankyo Company, Limited (JP) | 2008-06-18 | — | — | EP | disclosed |
| US-6063749-A | METAL STABILIZERS WITH DIALKYL CARBONATES FOR C3 TO C5 ALKYL BROMIDES | GREAT LAKES CHEMICAL CORPORATION (US) | 2000-05-16 | — | — | 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-20090143353-A1 | such as 2-tert-Butyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile hydrochloride, a 1,6-beta-glucan synthetase inhibitor having potent growth inhibition, used treating a fungal infections; fungicides | CTPS1, TPP1, STS | TTR 2006/4885CA1 942/4885CA9 595/4885 |
“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.