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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 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 SCHEMBL263465 | 0.87 | — | — | |
| Alcohol SCHEMBL29186276 | 0.87 | ALDH1A1 (0.50) | ALDH1A1TSHRTTRKDM4E | |
| Alcohol SCHEMBL29094337 | 0.87 | ALDH1A1 (0.50) | ALDH1A1TSHRTTRKDM4E | |
| Tetrahydrofuran SCHEMBL6623282 | 0.86 | ALDH1A1 (0.42) | ALDH1A1TSHR | |
| Dioxane SCHEMBL29028444 | 0.84 | ALDH1A1 (0.40) | ALDH1A1TSHRTTRKDM4E | |
| Dioxane SCHEMBL7807843 | 0.83 | ALDH1A1 (0.46) | ALDH1A1TSHRTTRKDM4E | |
| Dioxane SCHEMBL9456670 | 0.83 | TTR (0.46) | ALDH1A1TTR | |
| Dioxane SCHEMBL4586354 | 0.83 | ALDH1A1 (0.46) | ALDH1A1TSHRTTRKDM4E | |
| Dioxane SCHEMBL28453643 | 0.83 | ALDH1A1 (0.46) | ALDH1A1TSHRTTRKDM4E | |
| Oxirane SCHEMBL11591854 | 0.83 | TSHR (0.55) | ALDH1A1TSHRTTRKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2793962-B1 | PROCESS FOR MODIFYING THE SURFACE MORPHOLOGY OF A MEDICAL DEVICE | LE DANG QUANG SVEND (DK) | 2016-04-27 | — | — | EP | disclosed |