Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL7051923 | 0.88 | ALDH1A1 (0.44) | SMN1; SMN2TSHRHTTALDH1A1LMNA | |
| Dioxane SCHEMBL5970687 | 0.88 | SMN1; SMN2 (0.42) | SMN1; SMN2TSHRHTTALDH1A1LMNA | |
| Alcohol SCHEMBL29094337 | 0.87 | ALDH1A1 (0.50) | SMN1; SMN2TSHRHTTALDH1A1LMNA | |
| Dioxane SCHEMBL263465 | 0.87 | — | — | |
| Alcohol SCHEMBL29186276 | 0.87 | ALDH1A1 (0.50) | SMN1; SMN2TSHRHTTALDH1A1LMNA | |
| Dioxane SCHEMBL1512800 | 0.87 | SMN1; SMN2 (0.55) | SMN1; SMN2TSHRHTTLMNATTR | |
| Acetone SCHEMBL5243854 | 0.87 | SMN1; SMN2 (0.55) | SMN1; SMN2TSHRHTTLMNATTR | |
| Acetone SCHEMBL14359414 | 0.87 | SMN1; SMN2 (0.55) | SMN1; SMN2TSHRHTTLMNATTR | |
| Acetone SCHEMBL15059718 | 0.86 | ALDH1A1 (0.42) | SMN1; SMN2TSHRHTTALDH1A1LMNA | |
| Tetrahydrofuran SCHEMBL27918528 | 0.86 | ALDH1A1 (0.42) | SMN1; SMN2TSHRHTTALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2793962-A1 | PROCESS FOR MODIFYING THE SURFACE MORPHOLOGY OF A MEDICAL DEVICE | Le, Dang Quang Svend (DK) | 2014-10-29 | — | — | EP | disclosed |
| WO-2013091662-A1 | PROCESS FOR MODIFYING THE SURFACE MORPHOLOGY OF A MEDICAL DEVICE | AARHUS UNIVERSITET (DK) | 2013-06-27 | — | — | WO | disclosed |