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 SCHEMBL3328113 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5137579-A | Releases menthol on pyrolysis or hydrolysis dentrifrices, cigarettes | BASF K&F CORPORATION (US) | 1992-08-11 | — | — | US | disclosed |
| EP-0389945-A2 | Novel menthyl pyran compounds | BASF K & F Corporation (US) | 1990-10-03 | — | — | EP | disclosed |