Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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 | |
|---|---|---|---|---|
| SCHEMBL28022071 | 0.98 | — | — | |
| SCHEMBL28918459 | 0.88 | — | — | |
| Butanone SCHEMBL28280031 | 0.87 | ALDH1A1 (0.34) | — | |
| SCHEMBL29070020 | 0.85 | — | — | |
| SCHEMBL27975287 | 0.84 | DNM1 (0.32) | — | |
| Water SCHEMBL28141774 | 0.84 | — | — | |
| SCHEMBL29038344 | 0.83 | DNM1 (0.39) | — | |
| SCHEMBL28175856 | 0.82 | — | — | |
| SCHEMBL27931304 | 0.82 | — | — | |
| Water SCHEMBL28146116 | 0.82 | — | — |
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 102 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110105859-A | A kind of preparation method of wear-resistant paint | 沈阳顺风新材料有限公司 | 2019-08-09 | — | — | CN | claimed |
| CN-106117644-B | A kind of high-strength impact-resistant natural rubber cable sheath material | 安徽电气集团股份有限公司 | 2019-01-01 | — | — | CN | claimed |
| CN-105594048-B | Ion transport material, electrolyte membrane comprising the same, and method for preparing the same | LG化学株式会社 | 2018-05-22 | — | — | CN | claimed |
| CN-106117644-A | A kind of high-strength impact-resistant natural rubber cable sheath material | 安徽电气集团股份有限公司 | 2016-11-16 | — | — | CN | claimed |
| CN-110520454-A | Photocurable resin composition, fuel cell and encapsulating method using the Photocurable resin composition | THREE BOND CO LTD | 2019-11-29 | — | — | CN | disclosed |
| CN-106795418-B | Sealing sheet, sealing sheet with spacer, semiconductor device, and method for manufacturing semiconductor device | 日东电工株式会社 | 2019-10-15 | — | — | CN | disclosed |
| CN-110333647-A | A kind of positive type photosensitive organic compound | 北京波米科技有限公司 | 2019-10-15 | — | — | CN | disclosed |
| CN-110317376-A | Rubber composition for tire tread and tire comprising the composition | 韩国轮胎株式会社 | 2019-10-11 | — | — | CN | disclosed |
| CN-110235031-A | Film roll and method for producing same | 柯尼卡美能达株式会社 | 2019-09-13 | — | — | CN | disclosed |
| CN-105093832-B | Photosensitive composition, protective film and element having protective film | 奇美实业股份有限公司 | 2019-08-30 | — | — | CN | disclosed |
| CN-107493684-B | Photocurable composition | 三键有限公司 | 2019-08-30 | — | — | CN | disclosed |
| CN-105874582-B | The manufacturing method of two-sided sheet for sealing and semiconductor device with partition | 日东电工株式会社 | 2019-08-02 | — | — | CN | disclosed |
| CN-105017080-B | 1, 4-bis (isocyanatomethyl) cyclohexane, polyisocyanate composition, spectacle material, spectacle frame, and lens | 三井化学株式会社 | 2016-10-12 | — | — | CN | disclosed |
| CN-104662111-B | Liquid composition and glass article | 旭硝子株式会社 | 2016-10-12 | — | — | CN | disclosed |
| CN-105980500-A | Coating composition and optical member | 日产化学工业株式会社 | 2016-09-28 | — | — | CN | disclosed |
| CN-102911478-B | Composition epoxy resin, optical semiconductor device lead frame and optical semiconductor device substrate and optical semiconductor device | 日东电工株式会社 | 2016-08-31 | — | — | CN | disclosed |
| CN-105916955-A | Adhesive composition and adhesive tape | 旭化成株式会社 | 2016-08-31 | — | — | CN | disclosed |
| CN-105900535-A | Insulating layer for printed wiring board and printed wiring board | 三菱瓦斯化学株式会社 | 2016-08-24 | — | — | CN | disclosed |
| CN-105874582-A | Sealing sheet provided with double-sided separator, and method for manufacturing semiconductor device | 日东电工株式会社 | 2016-08-17 | — | — | CN | disclosed |
| CN-103764750-B | Resin sealing sheet and solar cell module | 旭化成株式会社 | 2016-08-17 | — | — | CN | disclosed |