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 SCHEMBL11566091 | 1.00 | — | — | |
| Water SCHEMBL9405278 | 1.00 | — | — | |
| Water SCHEMBL5797904 | 1.00 | — | — | |
| Water SCHEMBL19953492 | 1.00 | — | — | |
| Water SCHEMBL20566053 | 1.00 | — | — | |
| Water SCHEMBL49579 | 1.00 | — | — | |
| Water SCHEMBL3841401 | 1.00 | — | — | |
| Water SCHEMBL1941845 | 1.00 | OXTR (0.50) | — | |
| Water SCHEMBL1282691 | 1.00 | — | — | |
| Water SCHEMBL28721160 | 1.00 | — | — |
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 459 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117429105-A | Preparation method of composite rubber sealing element | 际华橡胶工业有限公司 | 2024-01-23 | — | — | CN | claimed |
| WO-2023225764-A1 | METHOD FOR PRODUCING SURFACE-MODIFIED MICRO-FIBRILLATED CELLULOSE | DÄTWYLER SCHWEIZ AG (CH) | 2023-11-30 | — | — | WO | claimed |
| CN-116282100-A | Laminar double-metal hydroxide carbonyl sulfide hydrolysis catalyst rich in surface defects, preparation method and application thereof | 北京化工大学 | 2023-06-23 | — | — | CN | claimed |
| EP-2935460-B1 | MOBILE ELECTRONIC DEVICE | SOLVAY SPECIALTY POLYMERS USA (US) | 2020-08-26 | — | — | EP | claimed |
| CN-110803952-A | Crop stem and leaf surface heavy metal resistance control selenium-rich fertilizer capable of increasing crop yield and application method thereof | 刘俐 | 2020-02-18 | — | — | CN | claimed |
| CN-105896594-B | Multi-energy complementation system with cloud management function | 上海能辉科技股份有限公司 | 2018-10-12 | — | — | CN | claimed |
| US-9988494-B2 | Method for forming a high molecular weight polyarylene sulfide | TICONA LLC (US) | 2018-06-05 | — | — | US | claimed |
| CN-105221847-B | A kind of gas hydrates pipeline and decomposer | 常州大学 | 2017-09-08 | — | — | CN | claimed |
| CN-106147245-A | Good stability of the utility model of the sbs modified asphalt preparation method of | 西安旭皓环保科技有限责任公司 | 2016-11-23 | — | — | CN | claimed |
| US-20160244568-A1 | Method for Forming a High Molecular Weight Polyarylene Sulfide | TICONA LLC | 2016-08-25 | — | — | US | claimed |
| WO-1992000367-A1 | IMPROVED SULFURIZED OLEFIN EXTREME PRESSURE/ANTIWEAR ADDITIVES AND COMPOSITIONS THEREOF | MOBIL OIL CORPORATION (US) | 1992-01-09 | — | — | WO | claimed |
| EP-0448194-A2 | Process for production of polyarylenesulfides | KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1991-09-25 | — | — | EP | claimed |
| US-5019220-A | Forming alkaline slurry; adding oxidizer and azide | MORTON INTERNATIONAL, INC. (US) | 1991-05-28 | — | — | US | claimed |
| EP-0409496-A2 | Microporous membranes | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-01-23 | — | — | EP | claimed |
| US-4490522-A | REACTING POLYHALOGENATED AROMATIC COMPOUND WITH ALKALI METAL SULFIDE IN PRESENCE OF OXYALKYLENE COMPOUND | DAINIPPON INK & CHEMICALS, INC. (JP) | 1984-12-25 | — | — | US | claimed |
| US-4228761-A | Method for coating a polymeric article with a thermochromic paint | RAYCHEM CORPORATION (US) | 1980-10-21 | — | — | US | claimed |
| US-4210526-A | Desulfurizing fossil fuels | SWANSON ROLLAN | 1980-07-01 | — | — | US | claimed |
| US-4160721-A | De-sulfurization of petroleum residues using melt of alkali metal sulfide hydrates or hydroxide hydrates | SWANSON ROLLAN | 1979-07-10 | — | — | US | claimed |
| US-4121011-A | Polymeric article coated with a thermochromic paint | RAYCHEM CORPORATION (US) | 1978-10-17 | — | — | US | claimed |
| US-4105583-A | THERMOCHROMIC PAINT FOR USE ON PLASTIC SUBSTRATES | RAYCHEM CORPORATION (US) | 1978-08-08 | — | — | US | claimed |