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 SCHEMBL8745624 | 1.00 | — | — | |
| Water SCHEMBL261167 | 1.00 | — | — | |
| Water SCHEMBL2166807 | 1.00 | — | — | |
| Water SCHEMBL1960739 | 1.00 | — | — | |
| Water SCHEMBL5359540 | 1.00 | — | — | |
| Water SCHEMBL2569158 | 1.00 | — | — | |
| Water SCHEMBL408582 | 1.00 | — | — | |
| Water SCHEMBL10748032 | 1.00 | — | — | |
| Water SCHEMBL6690795 | 1.00 | — | — | |
| Water SCHEMBL16539020 | 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 926 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115732218-B | Permanent magnet material with low demagnetizing rate and preparation method thereof | 深圳市粤能电气有限公司 | 2026-05-15 | — | — | CN | claimed |
| CN-118620206-B | High-purity polyphenylene sulfide and preparation method thereof | 苏州港睿通纳米材料科技有限公司 | 2024-11-15 | — | — | CN | claimed |
| CN-118620206-A | High-purity polyphenylene sulfide and preparation method thereof | 苏州港睿通纳米材料科技有限公司 | 2024-09-10 | — | — | CN | claimed |
| WO-2024134681-A1 | A METHOD FOR THE PREPARATION OF 3-CHLOROTHIETANE 1,1-DIOXIDE | PI INDUSTRIES LTD. (IN) | 2024-06-27 | — | — | WO | claimed |
| CN-118063402-A | Synthesis process of saccharin | 上海交通大学 | 2024-05-24 | — | — | CN | claimed |
| CN-117069143-A | Doped bismuth oxide nano material, preparation method and application thereof | 上海理工大学 | 2023-11-17 | — | — | CN | claimed |
| CN-115160591-B | Method for rapidly and efficiently deconstructing lignocellulose by using alkaline eutectic solvent | 中国林业科学研究院林产化学工业研究所 | 2023-08-25 | — | — | 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-112661707-B | Preparation method of dacomitinib | 扬子江药业集团有限公司 | 2022-11-08 | — | — | CN | claimed |
| CN-113087906-B | Preparation method of polyphenylene sulfide ketone and product thereof | 四川轻化工大学 | 2022-07-01 | — | — | CN | claimed |
| WO-2002093059-A1 | METHOD FOR INHIBITING EXTERNAL CORROSION ON AN INSULATED PIPELINE | PHILLIPS PETROLEUM COMPANY (US) | 2002-11-21 | — | — | WO | claimed |
| US-6273144-B1 | Method for inhibiting external corrosion on an insulated pipeline | ATLANTIC RICHFIELD COMPANY | 2001-08-14 | — | — | US | claimed |
| EP-0535149-B1 | A PROCESS FOR PREPARING IMPROVED SULFURIZED OLEFIN EXTREME PRESSURE/ANTI-WEAR ADDITIVES AND COMPOSITIONS THEREOF | MOBIL OIL CORP (US) | 1996-08-28 | — | — | EP | claimed |
| EP-0535149-A4 | IMPROVED SULFURIZED OLEFIN EXTREME PRESSURE/ANTIWEAR ADDITIVES AND COMPOSITIONS THEREOF | — | 1993-11-03 | — | — | EP | claimed |
| EP-0535149-A1 | IMPROVED SULFURIZED OLEFIN EXTREME PRESSURE/ANTIWEAR ADDITIVES AND COMPOSITIONS THEREOF. | MOBIL OIL CORP (US) | 1993-04-07 | — | — | EP | claimed |
| US-5135670-A | Reacting with sulfur and sodium sulfide hydrates, recovering alkyl polysulfides; lubricant and fuel additives | MOBIL OIL CORPORATION (US) | 1992-08-04 | — | — | 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-0296250-A1 | POLYARYLENE SULFIDE AND PROCESS FOR ITS PRODUCTION | IDEMITSU PETROCHEMICAL COMPANY LIMITED (JP) | 1988-12-28 | — | — | EP | claimed |
| EP-0272909-A2 | Synthesis of aminothioacetamides | ELI LILLY AND COMPANY (US) | 1988-06-29 | — | — | EP | claimed |
| US-4599428-A | SALT FORMATION, THIOETHERIFICATION | CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT (HU) | 1986-07-08 | — | — | US | claimed |