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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.50 |
| ▸ | LCK | P06239 | 1/20 | 0.50 |
| ▸ | FYN | P06241 | 1/20 | 0.50 |
| ▸ | TTR | P02766 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
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 SCHEMBL575055 | 0.96 | FFAR3 (0.54) | SMN1; SMN2FFAR3LCKFYNTTR | |
| Dioxane SCHEMBL29086945 | 0.96 | FFAR3 (0.54) | SMN1; SMN2FFAR3LCKFYNTTR | |
| Acetic Acid SCHEMBL8865239 | 0.96 | FFAR3 (0.54) | SMN1; SMN2FFAR3LCKFYNTTR | |
| Dioxane SCHEMBL13835213 | 0.93 | SMN1; SMN2 (0.50) | SMN1; SMN2FFAR3LCKFYNTTR | |
| Dioxane SCHEMBL8100844 | 0.93 | SMN1; SMN2 (0.50) | SMN1; SMN2FFAR3LCKFYNTTR | |
| Acetic Acid SCHEMBL4305539 | 0.93 | — | — | |
| Acetic Acid SCHEMBL19973141 | 0.93 | FFAR3 (0.58) | SMN1; SMN2FFAR3LCKFYNTTR | |
| Acetic Acid SCHEMBL1674890 | 0.93 | FFAR3 (0.58) | SMN1; SMN2FFAR3LCKFYNTTR | |
| Dioxane SCHEMBL10973397 | 0.90 | SMN1; SMN2 (0.48) | SMN1; SMN2FFAR3LCKFYNTTR | |
| Acetic Acid SCHEMBL5370932 | 0.89 | — | — |
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-115322383-B | Polytelluroxane and process for producing the same | 清华大学 | 2023-07-25 | — | — | CN | disclosed |