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 SCHEMBL17629249 | 1.00 | — | — | |
| Water SCHEMBL30488446 | 1.00 | — | — | |
| Water SCHEMBL7995199 | 1.00 | — | — | |
| Water SCHEMBL230149 | 1.00 | — | — | |
| Water SCHEMBL7246743 | 1.00 | — | — | |
| Water SCHEMBL17629250 | 1.00 | — | — | |
| Water SCHEMBL22322406 | 0.91 | — | — | |
| Water SCHEMBL17199831 | 0.91 | — | — | |
| Water SCHEMBL22581632 | 0.91 | — | — | |
| Water SCHEMBL20742992 | 0.91 | — | — |
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 181 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113773231-B | Compound hydroxyl guanidine tetrafluoroborate and hydroxyl guanidine tetrafluoroborate nonlinear optical crystal, preparation method and application | 中国科学院新疆理化技术研究所 | 2023-03-21 | — | — | CN | claimed |
| EP-3921383-A1 | PHASE CHANGE MATERIALS (PCMS) WITH SOLID TO SOLID TRANSITIONS | Sunamp Limited (GB) | 2021-12-15 | — | — | EP | claimed |
| CN-113773231-A | Compound hydroxyl guanidine tetrafluoroborate and hydroxyl guanidine tetrafluoroborate nonlinear optical crystal, preparation method and application | 中国科学院新疆理化技术研究所 | 2021-12-10 | — | — | CN | claimed |
| CN-113396199-A | Phase Change Material (PCM) with solid-to-solid transition | 松耐普有限公司 | 2021-09-14 | — | — | CN | claimed |
| EP-3768784-A1 | MULTIFUNCTIONAL COATINGS FOR USE IN WET ENVIRONMENTS | Graphite Innovation and Technologies Inc. (CA) | 2021-01-27 | — | — | EP | claimed |
| WO-2020161507-A1 | PHASE CHANGE MATERIALS (PCMS) WITH SOLID TO SOLID TRANSITIONS | SUNAMP LIMITED (GB) | 2020-08-13 | — | — | WO | claimed |
| WO-2019178682-A1 | MULTIFUNCTIONAL COATINGS FOR USE IN WET ENVIRONMENTS | GRAPHITE INNOVATION AND TECHNOLOGIES INC. (CA) | 2019-09-26 | — | — | WO | claimed |
| CN-109988289-A | Wetting agent and dispersing agent with rheological behavior | 赢创德固赛有限公司 | 2019-07-09 | — | — | CN | claimed |
| US-10179331-B2 | Ligand based chromium catalyst and application in catalyzing ethylene oligomerization | CHINA PETROLEUM & CHEIMCAL CORPORATION (CN) | 2019-01-15 | — | — | US | claimed |
| CN-108366994-A | Novel selective inhibitors of Jak1 and uses thereof | 梁从新 | 2018-08-03 | — | — | CN | claimed |
| CN-105001133-B | Synthetic method for medical intermediate diaryl sulfide compound | 武汉励合生物医药科技有限公司 | 2017-04-19 | — | — | CN | claimed |
| EP-3091103-A1 | PROCESS FOR OBTAINING PATTERNED METAL-OXIDE THIN FILMS DEPOSITED ONTO A SUBSTRATE, FILMED SUBSTRATES OBTAINED THEREOF, AND SEMICONDUCTOR NANODEVICES COMPRISING THEM | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2016-11-09 | — | — | EP | claimed |
| CN-104529854-B | A kind of synthetic method of substituted azetidine class pharmaceutical intermediate compound | 武汉金联药业有限公司 | 2016-10-05 | — | — | CN | claimed |
| CN-105130983-B | A kind of synthetic method of medicine intermediate Pyrazolopyridine compound | 上海博悦生物科技有限公司 | 2016-09-07 | — | — | CN | claimed |
| CN-105899514-A | Synthesis and formulation of porphyrin compounds | 风神科学公司 | 2016-08-24 | — | — | CN | claimed |
| WO-2015153552-A1 | FAST ACTING INHIBITOR OF GASTRIC ACID SECRETION WITH ENHANCED ACTIVITY | YALE UNIVERSITY (US) | 2015-10-08 | — | — | WO | claimed |
| WO-2010137838-A2 | COMPOSITION FOR A LIQUID PROCESS, ELECTRONIC DEVICE USING SAME, AND METHOD FOR MANUFACTURING SAME | 연세대학교 산학협력단 (KR) | 2010-12-02 | — | — | WO | claimed |
| CN-1351497-A | Aminopyrimidines as sorbitol dehydrogenase inhibitors | PFIZER PROD INC (US) | 2002-05-29 | — | — | CN | claimed |
| CN-1063486-A | DEACETYLCOLCHICINE DERIVATIVES | OHGEN RESEARCH LAB LTD (JP) | 1992-08-12 | — | — | CN | claimed |
| EP-0031440-B1 | PROCESS FOR REMOVING MOULDING SAND REMAINDERS ON CAST PARTS | Degussa Aktiengesellschaft (DE) | 1983-11-09 | — | — | EP | claimed |