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 SCHEMBL261168 | 1.00 | CA1 (0.67) | — | |
| Water SCHEMBL9151904 | 1.00 | CA1 (0.67) | — | |
| Water SCHEMBL8745627 | 1.00 | — | — | |
| Water SCHEMBL16539022 | 1.00 | — | — | |
| Water SCHEMBL159554 | 1.00 | — | — | |
| Water SCHEMBL10748033 | 1.00 | CA1 (0.67) | — | |
| Water SCHEMBL408583 | 1.00 | — | — | |
| Water SCHEMBL2569159 | 1.00 | CA1 (0.67) | — | |
| Water SCHEMBL5359546 | 1.00 | — | — | |
| Water SCHEMBL4179161 | 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 250 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116478204-B | Preparation method of bis- [ triethoxysilylpropyl ] -tetrasulfide | 唐山三孚新材料有限公司 | 2024-10-15 | — | — | CN | claimed |
| CN-118649637-A | Continuous device and method for preparing lipoic acid | 天津凯莱英医药科技发展有限公司 | 2024-09-17 | — | — | CN | claimed |
| CN-118546367-A | Antistatic polyphenylene sulfide and preparation method thereof | 濮阳市盛通聚源新材料有限公司 | 2024-08-27 | — | — | CN | claimed |
| CN-118373528-A | Treatment process and method for copper-containing wastewater of circuit board | 深圳市宏屹峰科技有限公司 | 2024-07-23 | — | — | CN | claimed |
| CN-118063773-A | Production method of polyphenylene sulfide with low metal impurities | 铜陵瑞嘉特种材料有限公司 | 2024-05-24 | — | — | CN | claimed |
| CN-117720727-A | Production method of high-crystallinity polyphenylene sulfide | 铜陵瑞嘉特种材料有限公司 | 2024-03-19 | — | — | CN | claimed |
| CN-117467137-A | Production method of low-chlorine polyphenylene sulfide resin | 铜陵瑞嘉特种材料有限公司 | 2024-01-30 | — | — | CN | claimed |
| CN-117186405-A | High molecular weight polyphenylene sulfide based on molecular structure design and preparation method thereof | 苏州双湖化工技术有限公司 | 2023-12-08 | — | — | CN | claimed |
| CN-116478204-A | Preparation method of bis- [ triethoxysilylpropyl ] -tetrasulfide | 唐山三孚新材料有限公司 | 2023-07-25 | — | — | CN | claimed |
| CN-110527092-B | Method for preparing high molecular weight poly (arylene sulfide sulfone) | 珠海长先新材料科技股份有限公司 | 2021-12-17 | — | — | CN | claimed |
| CN-113388393-A | Method for preparing InP @ ZnS core-shell quantum dots through supergravity reactor and obtained InP @ ZnS core-shell quantum dots | 北京化工大学 | 2021-09-14 | — | — | CN | claimed |
| CN-110155954-B | Preparation method of high-purity sodium sulfide crystal | 贵州红星发展股份有限公司 | 2021-02-23 | — | — | CN | claimed |
| CN-109232893-B | High-efficiency synthesis method of polyphenylene sulfide resin | 宜宾学院 | 2021-02-19 | — | — | CN | claimed |
| CN-109785986-B | Method for removing rare earth elements in spent fuel salt | 中国科学院上海应用物理研究所 | 2020-12-25 | — | — | CN | claimed |
| CN-107405691-B | Method for producing copper particles, and copper paste | 国立大学法人大阪大学 | 2020-06-02 | — | — | CN | claimed |
| US-10059721-B2 | Substituted thieno[3,2-b]pyrazines for inhibiting cancer cell proliferation and inducing cancer cell apoptosis | DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) | 2018-08-28 | — | — | US | claimed |
| JP-5032780-A | — | — | None | — | — | JP | disclosed |
| JP-58175751-A | — | — | None | — | — | JP | disclosed |
| US-4199548-A | Thermally diffusible composites | TOYO INK MANUFACTURING CO., LTD. (JP) | 1980-04-22 | — | — | US | disclosed |
| US-4093424-A | Thermogenic compositions | TOYO INK MANUFACTURING CO,, LTD. (JA) | 1978-06-06 | — | — | US | disclosed |