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 | |
|---|---|---|---|---|
| Water SCHEMBL73477 | 1.00 | — | — | |
| Water SCHEMBL2355031 | 1.00 | — | — | |
| Water SCHEMBL73479 | 1.00 | — | — | |
| Water SCHEMBL20451204 | 1.00 | — | — | |
| Water SCHEMBL251541 | 1.00 | — | — | |
| Water SCHEMBL2355026 | 1.00 | — | — | |
| Water SCHEMBL142520 | 1.00 | — | — | |
| Water SCHEMBL350392 | 1.00 | — | — | |
| Water SCHEMBL8466513 | 1.00 | — | — | |
| Water SCHEMBL29151657 | 1.00 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102229429-A | Renewable energy silicon energy storing and circulating system | Bengbu xinyuan quartz material co ltd | 2011-11-02 | — | — | CN | disclosed |
| CN-102190289-A | Silicon powder composition for generating hydrogen gas | BENGPU XINYUAN QUARTZ MATERIAL CO LTD | 2011-09-21 | — | — | CN | disclosed |
| US-6096930-A | PREPARATION OF 2-METHYLINDANECARBOXYALDEHYDES BY REACTING A MALONYL HALIDE WITH A BENZENE DERIVATIVE, REDUCTION OF THE FORMED INDANEDIONE, REACTION WITH DICHLOROMETHYL METHYL ETHER | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2000-08-01 | — | — | US | disclosed |
| US-6091375-A | Radome | SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) | 2000-07-18 | — | — | US | disclosed |
| EP-0658575-B1 | Method of preparing polymer containing functional group | KANEGAFUCHI CHEMICAL IND (JP) | 1999-10-06 | — | — | EP | disclosed |
| CN-1040437-C | Herbicidal quinolinyloxadiazoles | KOREA RES INST CHEM TECH (KR) | 1998-10-28 | — | — | CN | disclosed |
| EP-0820489-A1 | HYBRID PHTHALOCYANINE DERIVATIVES AND THEIR USES | BIOSITE DIAGNOSTICS INC. (US) | 1998-01-28 | — | — | EP | disclosed |
| US-5631208-A | Herbicidal cyclohexane-1,3-dione derivatives and their preparation process | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 1997-05-20 | — | — | US | disclosed |
| EP-0609099-B1 | Antimicrobial and antifungal compositions comprising silicon-compounds, and their use in agriculture and horticulture | SANKYO CO (JP) | 1997-03-26 | — | — | EP | disclosed |
| WO-1996006071-A1 | NOVEL HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES AND THEIR PREPARATION PROCESS | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 1996-02-29 | — | — | WO | disclosed |
| US-5489687-A | PLANT GROWTH REGULATOR | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 1996-02-06 | — | — | US | disclosed |
| US-5447990-A | Silane modified polyisobutylene | KANEGARUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1995-09-05 | — | — | US | disclosed |
| EP-0658575-A2 | Method of preparing polymer containing functional group | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1995-06-21 | — | — | EP | disclosed |
| EP-0609099-A1 | Antimicrobial and antifungal compositions comprising silicon-compounds, and their use in agriculture and horticulture | SANKYO COMPANY LIMITED (JP) | 1994-08-03 | — | — | EP | disclosed |
| CN-1087087-A | The quinolinyloxadiazoles of weeding | KOREA RES INST CHEM TECH (KR) | 1994-05-25 | — | — | CN | disclosed |
| WO-1994004530-A1 | HERBICIDAL QUINOLINYLOXADIAZOLES | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 1994-03-03 | — | — | WO | disclosed |
| WO-1994003443-A1 | HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES AND THEIR PREPARATION PROCESS | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 1994-02-17 | — | — | WO | disclosed |