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 SCHEMBL10748027 | 1.00 | OXTR (0.33) | — | |
| Water SCHEMBL8472556 | 1.00 | OXTR (0.33) | — | |
| Water SCHEMBL10775744 | 1.00 | — | — | |
| Water SCHEMBL16539024 | 1.00 | — | — | |
| Water SCHEMBL408581 | 1.00 | — | — | |
| Water SCHEMBL2569156 | 1.00 | OXTR (0.33) | — | |
| Water SCHEMBL2110482 | 1.00 | — | — | |
| Water SCHEMBL421822 | 1.00 | OXTR (0.33) | — | |
| Water SCHEMBL8745622 | 1.00 | — | — | |
| Water SCHEMBL261166 | 1.00 | OXTR (0.33) | — |
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 155 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116693433-B | Synthesis method of alkyl substituted thiophenol | 济南悟通生物科技有限公司 | 2024-04-16 | — | — | CN | claimed |
| CN-116693433-A | Synthesis method of alkyl substituted thiophenol | 济南悟通生物科技有限公司 | 2023-09-05 | — | — | CN | claimed |
| CN-113105630-B | Solvent recovery process in polyphenylene sulfide production process flow | 深圳市华盈新材料有限公司 | 2023-03-24 | — | — | CN | claimed |
| CN-111548492-B | Polyphenylene sulfide and synthesis method thereof | 四川明道和化学新材料有限公司 | 2023-02-24 | — | — | CN | claimed |
| CN-114106328-A | Method for continuously dehydrating sodium sulfide polyhydrate in polyphenylene sulfide production | 四川轻化工大学 | 2022-03-01 | — | — | CN | claimed |
| CN-110818898-B | Method for dehydrating sodium sulfide dihydrate in polyphenylene sulfide production | 四川轻化工大学 | 2021-11-19 | — | — | CN | claimed |
| CN-113105630-A | Solvent recovery process in polyphenylene sulfide production process flow | 深圳市华盈新材料有限公司 | 2021-07-13 | — | — | CN | claimed |
| CN-108530629-B | Method for conveying sodium sulfide in fluidized state in pps production | 四川理工学院 | 2020-10-20 | — | — | CN | claimed |
| CN-111548492-A | Polyphenylene sulfide and synthetic method thereof | 四川明道和化学新材料有限公司 | 2020-08-18 | — | — | CN | claimed |
| CN-110818898-A | Method for dehydrating sodium sulfide dihydrate in polyphenylene sulfide production | 四川轻化工大学 | 2020-02-21 | — | — | CN | claimed |
| CN-108147372-B | Preparation method of sodium sulfide reaction precursor in polyphenylene sulfide production | 宜宾天原集团股份有限公司 | 2020-01-17 | — | — | CN | claimed |
| EP-3151671-A1 | METHODS AND COMPOSITIONS FOR TREATING NITRIC OXIDE DEFICIENCY DISORDERS AND RELATED CONDITIONS | Sulfagenix, Inc. (US) | 2017-04-12 | — | — | EP | claimed |
| US-20170087180-A1 | METHODS AND COMPOSITIONS FOR TREATING NITRIC OXIDE DEFICIENCY DISORDERS AND RELATED CONDITIONS | SULFAGENIX, INC. | 2017-03-30 | — | — | US | claimed |
| WO-2015187649-A1 | METHODS AND COMPOSITIONS FOR TREATING NITRIC OXIDE DEFICIENCY DISORDERS AND RELATED CONDITIONS | SULFAGENIX, INC. (US) | 2015-12-10 | — | — | WO | claimed |
| US-8389005-B2 | Systemic treatment of pathological conditions resulting from oxidative stress and/or redox imbalance | NUEVAS ALTERNATIVAS NATURALES THERMAFAT, S.A.P.I. DE C.V. (MX) | 2013-03-05 | — | — | US | claimed |
| US-8361514-B2 | Systemic treatment of pathological conditions resulting from oxidative stress and/or redox imbalance | Nuevas Alternatives Naturales Thermafat, S.A.P.I. de C.V. (MX) | 2013-01-29 | — | — | US | claimed |
| CN-1345892-A | Technology for recovering dissolvent and catalyst in producing polyphenyl-thioether | SICHUAN HUATUO INDUSTRY DEV CO (CN) | 2002-04-24 | — | — | CN | claimed |
| EP-0272909-A2 | Synthesis of aminothioacetamides | ELI LILLY AND COMPANY (US) | 1988-06-29 | — | — | EP | claimed |
| CN-122070909-A | Ambroxol anhydrous swallow granule and preparation method thereof | 华益泰康药业股份有限公司 | 2026-05-22 | — | — | CN | disclosed |
| US-4093424-A | Thermogenic compositions | TOYO INK MANUFACTURING CO,, LTD. (JA) | 1978-06-06 | — | — | US | disclosed |