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 SCHEMBL25327325 | 1.00 | — | — | |
| Water SCHEMBL28410354 | 1.00 | — | — | |
| Water SCHEMBL10408298 | 0.82 | GPR39 (0.33) | — | |
| Water SCHEMBL30336861 | 0.82 | — | — | |
| Water SCHEMBL31058458 | 0.82 | — | — | |
| Water SCHEMBL10408300 | 0.82 | GPR39 (0.33) | — | |
| Bromide SCHEMBL28102152 | 0.82 | — | — | |
| Bromide SCHEMBL19714 | 0.82 | — | — | |
| Water SCHEMBL11727068 | 0.67 | — | — | |
| Water SCHEMBL3699635 | 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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116565231-A | Preparation method and application of Tian Jing micron-sized selenium or zinc cobalt sulfide composite sheet electrode | 太原理工大学 | 2023-08-08 | — | — | CN | claimed |
| US-20170209489-A1 | FAST ACTING INHIBITOR OF GASTRIC ACID SECRETION WITH ENHANCED ACTIVITY | UNIV YALE (US) | 2017-07-27 | — | — | US | claimed |
| WO-2015153552-A1 | FAST ACTING INHIBITOR OF GASTRIC ACID SECRETION WITH ENHANCED ACTIVITY | YALE UNIVERSITY (US) | 2015-10-08 | — | — | WO | claimed |
| US-7667045-B2 | Gas generant and synthesis | AUTOMOTIVE SYSTEMS LABORATORY, INC. (US) | 2010-02-23 | — | — | US | claimed |
| WO-2006050444-A9 | WATER-BASED SYNTHESIS OF POLY(TETRAZOLES) | AUTOMOTIVE SYSTEMS LAB (US) | 2007-03-15 | — | — | WO | claimed |
| WO-2006050444-A1 | WATER-BASED SYNTHESIS OF POLY(TETRAZOLES) | AUTOMOTIVE SYSTEMS LABORATORY, INC. (US) | 2006-05-11 | — | — | WO | claimed |
| WO-2005118715-A2 | GAS GENERANT AND SYNTHESIS | AUTOMOTIVE SYSTEMS LABORATORY, INC. (US) | 2005-12-15 | — | — | WO | claimed |
| US-20050272873-A1 | Gas generant and synthesis | JOYSON SAFETY SYSTEMS ACQUISITION LLC | 2005-12-08 | — | — | US | claimed |
| WO-2024232593-A1 | METHOD FOR PREPARING MONO-TERT-BUTYL-ESTERIFIED SATURATED HYDROCARBON, AND CYCLIC PREPARATION METHOD THEREFOR | 주식회사 아미노로직스 | 2024-11-14 | — | — | WO | disclosed |
| CN-113666798-B | Green technology for preparing bromoethane from bromate | 上虞新和成生物化工有限公司 | 2024-06-04 | — | — | CN | disclosed |
| CN-116565231-A | Preparation method and application of Tian Jing micron-sized selenium or zinc cobalt sulfide composite sheet electrode | 太原理工大学 | 2023-08-08 | — | — | CN | disclosed |
| CN-113666798-A | Green process for preparing bromoethane from bromine salt | 上虞新和成生物化工有限公司 | 2021-11-19 | — | — | CN | disclosed |
| US-10105687-B1 | Heterostructured Bi2S3—ZnS photocatalysts and methods thereof | IMAM ABDULRAHMAN BIN FAISAL UNIVERSITY (SA) | 2018-10-23 | — | — | US | disclosed |
| US-20170209489-A1 | FAST ACTING INHIBITOR OF GASTRIC ACID SECRETION WITH ENHANCED ACTIVITY | UNIV YALE (US) | 2017-07-27 | — | — | US | disclosed |
| US-20070040167-A1 | Water-based synthesis of poly(tetrazoles) and articles formed therefrom | JOYSON SAFETY SYSTEMS ACQUISITION LLC | 2007-02-22 | — | — | US | disclosed |
| WO-2006072944-A2 | ZERO VALENT METAL COMPOSITE FOR CATALYTICALY TREATING CONTAMINATED WATER | YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) | 2006-07-13 | — | — | WO | disclosed |
| WO-2006050442-A2 | GAS GENERANT COMPOSITIONS | AUTOMOTIVE SYSTEMS LABORATORY, INC. (US) | 2006-05-11 | — | — | WO | disclosed |
| WO-2006050444-A1 | WATER-BASED SYNTHESIS OF POLY(TETRAZOLES) | AUTOMOTIVE SYSTEMS LABORATORY, INC. (US) | 2006-05-11 | — | — | WO | disclosed |
| WO-2005118715-A2 | GAS GENERANT AND SYNTHESIS | AUTOMOTIVE SYSTEMS LABORATORY, INC. (US) | 2005-12-15 | — | — | WO | disclosed |
| US-20050272873-A1 | Gas generant and synthesis | JOYSON SAFETY SYSTEMS ACQUISITION LLC | 2005-12-08 | — | — | US | disclosed |