Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | TTR | P02766 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Dimethylformamide SCHEMBL6550357 | 0.89 | TSHR (0.39) | TSHRSMN1; SMN2FFAR3LCKFYN | |
| Tetrahydrofuran SCHEMBL28212755 | 0.89 | TSHR (0.39) | TSHRSMN1; SMN2FFAR3LCKFYN | |
| Dioxane SCHEMBL16719050 | 0.88 | TSHR (0.43) | TSHRSMN1; SMN2MAPTGAA | |
| Dioxane SCHEMBL28817546 | 0.87 | TSHR (0.53) | TSHRSMN1; SMN2MAPTTTR | |
| Dimethylformamide SCHEMBL11296326 | 0.87 | TSHR (0.60) | TSHRSMN1; SMN2TTR | |
| Dioxane SCHEMBL1072446 | 0.87 | TSHR (0.60) | TSHRSMN1; SMN2TTR | |
| Dioxane SCHEMBL271366 | 0.84 | TSHR (0.56) | TSHRTTR | |
| Dimethylformamide SCHEMBL10559930 | 0.84 | — | — | |
| Dimethylformamide SCHEMBL2692237 | 0.84 | — | — | |
| Tetrahydrofuran SCHEMBL23295002 | 0.83 | TSHR (0.43) | TSHRSMN1; SMN2MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1036334-B1 | ION DETECTOR CONSISTING OF PARTICLES WITH TARGET AND INDICATOR IONOPHORES DISTRIBUTED THEREIN | BECKMAN COULTER INC (US) | 2004-02-04 | — | — | EP | disclosed |
| US-6165796-A | Pipettable ion detector and method | BECKMAN COULTER, INC. (US) | 2000-12-26 | — | — | US | disclosed |
| EP-1036334-A1 | ION DETECTOR CONSISTING OF PARTICLES WITH TARGET AND INDICATOR IONOPHORES DISTRIBUTED THEREIN | Beckman Coulter, Inc. (US) | 2000-09-20 | — | — | EP | disclosed |
| WO-1999027371-A1 | ION DETECTOR CONSISTING OF PARTICLES WITH TARGET AND INDICATOR IONOPHORES DISTRIBUTED THEREIN | BECKMAN COULTER, INC. (US) | 1999-06-03 | — | — | WO | disclosed |