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 SCHEMBL4774062 | 1.00 | — | — | |
| Water SCHEMBL2289874 | 1.00 | — | — | |
| Water SCHEMBL28208506 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL4823672 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL248474 | 0.82 | — | — | |
| Water SCHEMBL23461833 | 0.67 | — | — | |
| Water SCHEMBL23631871 | 0.67 | — | — | |
| Water SCHEMBL20562889 | 0.67 | — | — | |
| Water SCHEMBL25334174 | 0.67 | — | — | |
| Water SCHEMBL21379772 | 0.67 | — | — |
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 839 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-120022874-B | Preparation method of imprinting functional straw adsorbent | 山东理工大学 | 2025-06-24 | — | — | CN | claimed |
| CN-119799318-B | Au (gold) alloy2S-up-conversion luminescence nanocomposite and preparation method thereof | 内蒙古科学技术研究院 | 2025-06-03 | — | — | CN | claimed |
| CN-114813688-B | Method for detecting acrylamide content based on up-conversion nano biosensing system | 江苏大学 | 2025-06-03 | — | — | CN | claimed |
| CN-120025353-A | Application of magneto-optical dual-function material based on beta-diketone rare earth gadolinium complex in fluorescence imaging | 宁夏医科大学 | 2025-05-23 | — | — | CN | claimed |
| CN-120022874-A | Preparation method of imprinting functional straw adsorbent | 山东理工大学 | 2025-05-23 | — | — | CN | claimed |
| CN-119799318-A | Au (gold) alloy2S-up-conversion luminescence nanocomposite and preparation method thereof | 内蒙古科学技术研究院 | 2025-04-11 | — | — | CN | claimed |
| CN-115060696-B | Preparation method of dual-signal sensor and application of dual-signal sensor in nitrite detection | 江苏大学 | 2025-04-08 | — | — | CN | claimed |
| CN-119752101-A | Preparation method and material of MOFs modified foam metal/functional resin composite material for neutron/gamma ray shielding | 南京航空航天大学 | 2025-04-04 | — | — | CN | claimed |
| CN-119684384-A | Nitroreductase response fluorescence and magnetic resonance bimodal probe NO designed based on gemcitabine prodrug2-Cy-Gxtb-Gd-Biotin and synthetic method and application thereof | 中国科学院精密测量科学与技术创新研究院 | 2025-03-25 | — | — | CN | claimed |
| CN-119601693-A | Rare earth doped Pt-based high-entropy intermetallic compound, preparation and application | 吉林大学 | 2025-03-11 | — | — | CN | claimed |
| US-20080249298-A1 | USE OF HEPARINOID DERIVATIVES FOR THE TREATMENT AND DIAGNOSIS OF DISORDERS WHICH CAN BE TREATED WITH HEPARINOIDS | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2008-10-09 | — | — | US | claimed |
| WO-2007142804-A2 | PREPARATION OF COMPLEXING AGENTS AND METAL ION COMPLEXES IN AQUEOUS MEDIA | MALLINCKRODT INC. (US) | 2007-12-13 | — | — | WO | claimed |
| WO-2007100541-A2 | METHOD OF TREATING PERIODONTITIS AND OF REDUCING DENTINAL SENSITIVITY | RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) | 2007-09-07 | — | — | WO | claimed |
| US-20070196288-A1 | Method of treating periodontitis and of reducing dentinal sensitivity | RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK | 2007-08-23 | — | — | US | claimed |
| EP-1423436-B1 | USE OF HEPARINOID DERIVATIVES FOR TREATING AND DIAGNOSING DISEASES THAT CAN BE TREATED BY HEPARINOIDS | SANOFI AVENTIS DEUTSCHLAND (DE) | 2006-04-12 | — | — | EP | claimed |
| US-20030109491-A1 | Use of heparinoid derivatives for the treatment and diagnosis of disorders which can be treated with heparinoids | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2003-06-12 | — | — | US | claimed |
| US-6534040-B2 | Chlorin and bacteriochlorin-based aminophenyl DTPA and N2S2 conjugates for MR contrast media and radiopharmaceuticals | HEALTH RESEARCH, INC. | 2003-03-18 | — | — | US | claimed |
| EP-0754690-B1 | Gadolinium-DTPA complex containing carborane unit, intermediates thereof and method of synthesizing them | UNIV TOHOKU (JP) | 2002-02-13 | — | — | EP | claimed |
| US-5714591-A | DIETHYLENETRIAMINEPENTAACETIC ACID COMPLEX; USED AS CONTRASTING AGENT FOR MRI'S AND NEUTRON CAPTURE THERAPY IN THE RADIOTHERAPY OF CANCERS AND TUMORS | PRESIDENT OF TOHOKU UNIVERSITY (JP) | 1998-02-03 | — | — | US | claimed |
| EP-0754690-A1 | Gadolinium-DTPA complex containing carborane unit, intermediates thereof and method of synthesizing them | President of TOHOKU UNIVERSITY (JP) | 1997-01-22 | — | — | EP | claimed |