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 SCHEMBL23929037 | 0.89 | — | — | |
| Water SCHEMBL22835119 | 0.87 | — | — | |
| Water SCHEMBL27567329 | 0.87 | — | — | |
| Water SCHEMBL28269620 | 0.87 | — | — | |
| Water SCHEMBL28688814 | 0.87 | — | — | |
| Water SCHEMBL1132007 | 0.87 | — | — | |
| Water SCHEMBL22127455 | 0.87 | — | — | |
| Water SCHEMBL21326455 | 0.87 | — | — | |
| Water SCHEMBL20557230 | 0.87 | — | — | |
| SCHEMBL7183335 | 0.87 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118599373-A | Thermochromic salt-based building material | 要要股份有限公司 | 2024-09-06 | — | — | CN | disclosed |
| CN-110683865-B | Method for coloring firewood in dragon kiln | 佛山科学技术学院 | 2022-03-25 | — | — | CN | disclosed |
| CN-110564961-B | Method for reducing leached hydrocobaltite | HUNAN RESEARCH INSTITUTE FOR NONFERROUS METALS (CN) | 2021-08-31 | — | — | CN | disclosed |
| CN-107099201-B | Water-dilutable polyvinyl fluoride paint and coating and forming method thereof | 广科工业股份有限公司 | 2020-02-07 | — | — | CN | disclosed |
| CN-110683865-A | Method for coloring firewood in dragon kiln | 佛山科学技术学院 | 2020-01-14 | — | — | CN | disclosed |
| CN-110564961-A | Method for reducing leached hydrocobaltite | 湖南有色金属研究院 | 2019-12-13 | — | — | CN | disclosed |
| CN-109631370-A | High temperature solar energy absorbing coating and preparation method thereof | 郴州市泰益表面涂层技术有限公司 | 2019-04-16 | — | — | CN | disclosed |
| US-10113081-B2 | Water dilutable polyvinyl fluoride paint and coating and method for manufacturing the same | GRAND TEK ADVANCE MATERIAL SCIENCE CO., LTD. (TW) | 2018-10-30 | — | — | US | disclosed |
| CN-108359375-A | A kind of high temperature solar selectively absorbing coating and preparation method thereof | 武汉理工大学 | 2018-08-03 | — | — | CN | disclosed |
| US-20170240761-A1 | WATER DILUTABLE POLYVINYL FLUORIDE PAINT AND COATING AND METHOD FOR MANUFACTURING THE SAME | GRAND TEK ADVANCE MATERIAL SCIENCE CO., LTD. (TW) | 2017-08-24 | — | — | US | disclosed |