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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALB | P02768 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| E968 SCHEMBL2057570 | 0.87 | ALDH1A1 (0.47) | CA2CA9CA12ALDH1A1LMNA | |
| SCHEMBL2057752 | 0.87 | SMN1; SMN2 (0.48) | CA2CA9ALDH1A1TDP1TSHR | |
| Mannitol SCHEMBL28248722 | 0.81 | ALDH1A1 (0.44) | CA2CA9CA12ALDH1A1LMNA | |
| Hexane SCHEMBL7122950 | 0.81 | MCHR1 (0.53) | CA2CA9CA12ALDH1A1LMNA | |
| Pentane SCHEMBL28482247 | 0.81 | ALDH1A1 (0.50) | CA2CA9CA12ALDH1A1LMNA | |
| SCHEMBL11244351 | 0.80 | ALDH1A1 (0.43) | CA2CA9ALDH1A1LMNATDP1 | |
| SCHEMBL11239460 | 0.80 | ALDH1A1 (0.43) | CA2CA9ALDH1A1LMNATDP1 | |
| SCHEMBL2057318 | 0.80 | CYP2C19 (0.44) | CA2CA9CA12ALDH1A1LMNA | |
| Butyl Alcohol SCHEMBL9636993 | 0.79 | ALDH1A1 (0.46) | CA2CA9CA12ALDH1A1LMNA | |
| Octane SCHEMBL356741 | 0.79 | MCHR1 (0.56) | CA2CA9CA12ALDH1A1LMNA |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9065146-B2 | Nonaqueous electrolyte and lithium secondary battery employing the same | MITSUBISHI CHEMICAL CORPORATION (JP) | 2015-06-23 | — | — | US | disclosed |
| US-8551662-B2 | Nonaqueous electrolyte and lithium secondary battery employing the same | MITSUBISHI CHEMICAL CORPORATION (JP) | 2013-10-08 | — | — | US | disclosed |
| US-8029935-B2 | Nonaqueous electrolyte and lithium secondary battery employing the same | MITSUBISHI CHEMICAL CORPORATION (JP) | 2011-10-04 | — | — | US | disclosed |
| US-20110229771-A1 | NONAQUEOUS ELECTROLYTE AND LITHIUM SECONDARY BATTERY EMPLOYING THE SAME | MITSUBISHI CHEMICAL CORPORATION (JP) | 2011-09-22 | — | — | US | disclosed |
| US-7981553-B2 | Nonaqueous electrolyte and lithium secondary battery employing the same | MITSUBISHI CHEMICAL CORPORATION (JP) | 2011-07-19 | — | — | US | disclosed |
| US-20110159380-A1 | NONAQUEOUS ELECTROLYTE AND LITHIUM SECONDARY BATTERY EMPLOYING THE SAME | MITSUBISHI CHEMICAL CORPORATION (JP) | 2011-06-30 | — | — | US | disclosed |
| US-20100227226-A1 | NONAQUEOUS ELECTROLYTE AND LITHIUM SECONDARY BATTERY EMPLOYING THE SAME | MITSUBISHI CHEMICAL CORPORATION (JP) | 2010-09-09 | — | — | US | disclosed |
| US-20100021823-A1 | NONAQUEOUS ELECTROLYTE AND LITHIUM SECONDARY BATTERY EMPLOYING THE SAME | MITSUBISHI CHEMICAL CORPORATION (JP) | 2010-01-28 | — | — | US | disclosed |
| US-7575833-B2 | Nonaqueous electrolyte and lithium secondary battery employing the same | MITSUBISHI CHEMICAL CORPORATION (JP) | 2009-08-18 | — | — | US | disclosed |
| US-20070238025-A1 | NONAQUEOUS ELECTROLYTE AND LITHIUM SECONDARY BATTERY EMPLOYING THE SAME | MITSUBISHI CHEMICAL CORPORATION (JP) | 2007-10-11 | — | — | US | disclosed |
| US-7223502-B2 | Nonaqueous electrolyte and lithium secondary battery employing the same | MITSUBISHI CHEMICAL CORPORATION (JP) | 2007-05-29 | — | — | US | disclosed |
| US-20050118512-A1 | Nonaqueous electrolyte and lithium secondary battery employing the same | MITSUBISHI CHEMICAL CORPORATION (JP) | 2005-06-02 | — | — | US | disclosed |