Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | SNCA | P37840 | 1/20 | 0.41 |
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 SCHEMBL5177507 | 0.91 | L3MBTL1 (0.49) | L3MBTL1ALDH1A1LMNAMAPTKDM4E | |
| Dioxane SCHEMBL11309706 | 0.91 | L3MBTL1 (0.49) | L3MBTL1ALDH1A1LMNAMAPTKDM4E | |
| Oxirane SCHEMBL10380952 | 0.89 | ALDH1A1 (0.50) | L3MBTL1ALDH1A1LMNAMAPTKDM4E | |
| Tetrahydrofuran SCHEMBL5252352 | 0.84 | ALDH1A1 (0.48) | L3MBTL1ALDH1A1LMNAMAPTKDM4E | |
| Tetrahydrofuran SCHEMBL2775004 | 0.84 | ALDH1A1 (0.48) | L3MBTL1ALDH1A1LMNAMAPTKDM4E | |
| SCHEMBL7631490 | 0.84 | ALDH1A1 (0.46) | L3MBTL1ALDH1A1LMNAMAPTKDM4E | |
| Tetrahydrofuran SCHEMBL7631486 | 0.84 | ALDH1A1 (0.48) | L3MBTL1ALDH1A1LMNAMAPTKDM4E | |
| SCHEMBL156883 | 0.83 | ALDH1A1 (0.53) | L3MBTL1ALDH1A1LMNAMAPTKDM4E | |
| Lithium Ion SCHEMBL29660549 | 0.83 | GAA (0.41) | L3MBTL1ALDH1A1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL11309704 | 0.82 | ALDH1A1 (0.47) | L3MBTL1ALDH1A1LMNAMAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-113214218-B | (Z) -1,4,7, 10-tetraoxacyclododecane-8-alkene lithium salt complex, preparation method and application thereof | 河北百灵威超精细材料有限公司 | 2022-06-14 | — | — | CN | disclosed |
| CN-113214218-A | (Z) -1,4,7, 10-tetraoxacyclododecane-8-alkene lithium salt complex, preparation method and application thereof | 河北百灵威超精细材料有限公司 | 2021-08-06 | — | — | CN | disclosed |