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 SCHEMBL2569159 | 1.00 | CA1 (0.67) | — | |
| Water SCHEMBL5359546 | 1.00 | — | — | |
| Water SCHEMBL2166809 | 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 152 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116496192-B | Preparation method of 4-phenylthio-1, 2-phenylenediamine | 山东国邦药业有限公司 | 2023-09-19 | — | — | CN | claimed |
| CN-116725070-A | Method for prolonging edible shelf life of instant kiwi fruits and instant kiwi fruits | 陕西科技大学 | 2023-09-12 | — | — | CN | claimed |
| CN-116496192-A | Preparation method of 4-phenylthio-1, 2-phenylenediamine | 山东国邦药业有限公司 | 2023-07-28 | — | — | CN | claimed |
| CN-111171320-B | Production method of catalyst-removed polyphenylene sulfide resin | 四川明道和化学新材料有限公司 | 2022-05-06 | — | — | CN | claimed |
| CN-109232893-B | High-efficiency synthesis method of polyphenylene sulfide resin | 宜宾学院 | 2021-02-19 | — | — | CN | claimed |
| US-20200164341-A1 | METHOD OF MAKING A MERCURY SORBENT | AMCOL INTERNATIONAL CORP (US) | 2020-05-28 | — | — | US | claimed |
| CN-111171320-A | Production method of catalyst-removed polyphenylene sulfide resin | 四川明道和化学新材料有限公司 | 2020-05-19 | — | — | CN | claimed |
| US-20180304229-A1 | IMPROVED METHOD OF MAKING A MERCURY SORBENT | AMCOL INTERNATIONAL CORPORATION (US) | 2018-10-25 | — | — | US | claimed |
| EP-3368210-A1 | IMPROVED METHOD OF MAKING A MERCURY SORBENT | Amcol International Corporation (US) | 2018-09-05 | — | — | EP | claimed |
| CN-108484911-A | A kind of polyphenylene sulfide dewatering | 内蒙古聚贤化工材料科技有限公司 | 2018-09-04 | — | — | CN | claimed |
| US-7109362-B2 | Process for the preparation of lipoic acid and dihydrolipoic acid | BASF AKTIENGESELLSCHAFT (DE) | 2006-09-19 | — | — | US | claimed |
| EP-1339705-B1 | METHOD FOR PRODUCING LIPOIC ACID AND DIHYDROLIPOIC ACID | BASF AG (DE) | 2006-06-07 | — | — | EP | claimed |
| US-20050101669-A1 | Process for the preparation of lipoic acid and dihydrolipoic acid | BASF AKTIENGESELLSCHAFT (DE) | 2005-05-12 | — | — | US | claimed |
| JP-2045531-A | — | — | None | — | — | JP | disclosed |
| US-20250228242-A1 | PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2025-07-17 | — | — | US | disclosed |
| EP-3634403-B1 | PHENYL-HETEROCYCLE-PHENYL DERIVATIVES FOR USE IN THE TREATMENT OR PREVENTION OF MELANOMA | MAX PLANCK GESELLSCHAFT (DE) | 2025-06-25 | — | — | EP | disclosed |
| US-4181671-A | POLYVINYL CHLORIDE, HEAT RESISTANCE | AKZO N.V. (NL) | 1980-01-01 | — | — | US | disclosed |
| US-4134878-A | SYNERGISTIC, VINYL HALIDE POLYMER | AKZO N.V. (NL) | 1979-01-16 | — | — | US | disclosed |
| US-4036840-A | ENZYME INHIBITORS | ICN PHARMACEUTICALS (US) | 1977-07-19 | — | — | US | disclosed |
| US-3985740-A | THERAPEUTIC AND ANTIBACTERIAL AGENTS | BRISTOL-MYERS COMPANY (US) | 1976-10-12 | — | — | US | disclosed |