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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL28342643 | 0.90 | ALDH1A1 (0.38) | SMN1; SMN2FFAR3LCKFYN | |
| Tetrahydrofuran SCHEMBL28993307 | 0.88 | ALDH1A1 (0.36) | SMN1; SMN2FFAR3LCKFYN | |
| Tetrahydrofuran SCHEMBL3367682 | 0.87 | ALDH1A1 (0.40) | SMN1; SMN2FFAR3LCKFYN | |
| Dioxane SCHEMBL8100844 | 0.86 | SMN1; SMN2 (0.50) | SMN1; SMN2FFAR3LCKFYNHSD17B10 | |
| Dioxane SCHEMBL575055 | 0.83 | FFAR3 (0.54) | SMN1; SMN2FFAR3LCKFYNHSD17B10 | |
| Acetic Acid SCHEMBL8865239 | 0.83 | FFAR3 (0.54) | SMN1; SMN2FFAR3LCKFYNHSD17B10 | |
| Acetic Acid SCHEMBL28307524 | 0.83 | FFAR3 (0.54) | FFAR3LCKFYNTSHR | |
| Acetic Acid SCHEMBL1307878 | 0.83 | — | — | |
| Dioxane SCHEMBL29086945 | 0.83 | FFAR3 (0.54) | SMN1; SMN2FFAR3LCKFYNHSD17B10 | |
| Acetic Acid SCHEMBL217277 | 0.83 | — | — |
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-0493513-B1 | CONTROLLED RELEASE COMPOSITION | BUKH MEDITEC (DK) | 1994-06-08 | — | — | EP | disclosed |
| US-5213808-A | Drug delivery | BUHK MEDITEC A/A (DK) | 1993-05-25 | — | — | US | disclosed |