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 SCHEMBL617364 | 1.00 | — | — | |
| Water SCHEMBL29157640 | 1.00 | — | — | |
| Water SCHEMBL3801507 | 1.00 | — | — | |
| Water SCHEMBL27645539 | 1.00 | — | — | |
| Water SCHEMBL7649877 | 1.00 | — | — | |
| Water SCHEMBL2977216 | 1.00 | — | — | |
| Water SCHEMBL23780025 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL11811300 | 0.82 | CA4 (0.33) | — | |
| Hydrochloric Acid SCHEMBL6058421 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL7762877 | 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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115359987-B | High-resistivity neodymium-iron-boron permanent magnet sheet and preparation method and application thereof | 宁波虔宁特种合金有限公司 | 2024-09-03 | — | — | CN | disclosed |
| CN-118546518-A | Composite material for filter plate membrane and preparation method thereof | 烟台核信环保设备有限公司 | 2024-08-27 | — | — | CN | disclosed |
| CN-115894756-A | Rare earth butadiene rubber bulk polymerization catalyst and use method thereof | 天津市盛融聚鑫机电安装工程有限公司 | 2023-04-04 | — | — | CN | disclosed |
| CN-115359987-A | High-resistivity neodymium iron boron permanent magnet sheet and preparation method and application thereof | 宁波虔宁特种合金有限公司 | 2022-11-18 | — | — | CN | disclosed |
| CN-106042518-A | Anti-radiation lead-steel composite plate | 华克医疗科技（北京）股份公司 | 2016-10-26 | — | — | CN | disclosed |
| CN-105803341-A | Preparation method of nanocrystallized low alloy wear-resistant and corrosion-resistant steel mold | 上海瀚氏模具成型有限公司 | 2016-07-27 | — | — | CN | disclosed |
| CN-105803342-A | Preparation method of surface-nanocrystallized low alloy steel mold | 上海瀚氏模具成型有限公司 | 2016-07-27 | — | — | CN | disclosed |
| CN-105734441-A | Preparation method of nanocrystallized low-alloy steel mould with heat resistance and high strength | 上海瀚氏模具成型有限公司 | 2016-07-06 | — | — | CN | disclosed |
| CN-105714203-A | Preparation method of surface nanocrystallization high-strength and heat-resisting steel die | 上海瀚氏模具成型有限公司 | 2016-06-29 | — | — | CN | disclosed |
| CN-105567035-A | Negative ion coating and preparation method thereof | XUANMAI HOUSEHOLD TECH (SHANGHAI) CO LTD | 2016-05-11 | — | — | CN | disclosed |
| CN-105523714-A | Negative ion far infrared coloured glaze, and preparation method as well as application thereof | SHANGHAI TAOHONG CHEMICAL TECH CO LTD | 2016-04-27 | — | — | CN | disclosed |
| CN-105481045-A | Negative-ion sintered activated carbon water purification filter element and preparation method thereof | SHANGHAI TAOHONG CHEMICAL TECH CO LTD | 2016-04-13 | — | — | CN | disclosed |