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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.64 |
| ▸ | LMNA | P02545 | 4/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
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 SCHEMBL169772 | 0.95 | ALDH1A1 (0.70) | ALDH1A1LMNAHSD17B10TSHRRECQL | |
| Dioxane SCHEMBL11662744 | 0.93 | ALDH1A1 (0.67) | ALDH1A1LMNAHSD17B10TSHRRECQL | |
| Ethyl Acetate SCHEMBL8881106 | 0.93 | — | — | |
| Ethyl Acetate SCHEMBL2461348 | 0.91 | ALDH1A1 (0.58) | ALDH1A1LMNAHSD17B10TSHRRECQL | |
| Ethyl Acetate SCHEMBL27722560 | 0.90 | ALDH1A1 (0.56) | ALDH1A1LMNAHSD17B10TSHRRECQL | |
| Dioxane SCHEMBL11628516 | 0.89 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRRECQL | |
| Dioxane SCHEMBL10915883 | 0.87 | ALDH1A1 (0.58) | ALDH1A1LMNAHSD17B10TSHRRECQL | |
| Ethyl Acetate SCHEMBL15194119 | 0.86 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10TSHRRECQL | |
| Ethyl Acetate SCHEMBL130336 | 0.86 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10TSHRRECQL | |
| Ethyl Acetate SCHEMBL28471771 | 0.86 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10TSHRRECQL |
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 |
|---|---|---|---|---|---|---|---|
| CN-102834370-B | The preparation method of 1-amino-1-alkoxy carbonyl-2-vinylcyclopropane | 株式会社API | 2016-11-23 | — | — | CN | disclosed |