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 SCHEMBL10451236 | 1.00 | — | — | |
| Water SCHEMBL487061 | 1.00 | — | — | |
| Fluoride Ion SCHEMBL50564 | 0.82 | — | — | |
| Water SCHEMBL31001052 | 0.82 | — | — | |
| Water SCHEMBL23631871 | 0.67 | — | — | |
| Water SCHEMBL25293610 | 0.67 | — | — | |
| Water SCHEMBL11364888 | 0.67 | — | — | |
| Water SCHEMBL25293755 | 0.67 | — | — | |
| Water SCHEMBL38219 | 0.67 | — | — | |
| Water SCHEMBL7594200 | 0.67 | — | — |
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 116 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025120305-A1 | HEAT-ABSORBING MATERIALS | THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) | 2025-06-12 | — | — | WO | claimed |
| CN-117019187-A | Method for preparing heterogeneous ion modified two-dimensional high-entropy alloy catalyst by heat collection strategy | 北京邮电大学 | 2023-11-10 | — | — | CN | claimed |
| CN-116654984-A | Method for preparing asymmetric electron spin density metal-based functional materials in batches | 北京邮电大学 | 2023-08-29 | — | — | CN | claimed |
| CN-114618441-B | Controllable preparation method of MIL material and application of MIL material in separation and enrichment of polyalcohol | 中国科学院大连化学物理研究所 | 2023-07-04 | — | — | CN | claimed |
| CN-116103038-A | Cr (chromium) 3+ Doped flaky fluoride near infrared fluorescent material and preparation method thereof | 杭州电子科技大学 | 2023-05-12 | — | — | CN | claimed |
| CN-114618441-A | Controllable preparation method of MIL material and application of MIL material in separation and enrichment of polyhydric alcohol | 中国科学院大连化学物理研究所 | 2022-06-14 | — | — | CN | claimed |
| CN-110508299-B | Method for preparing two-dimensional local oxidation transition metal fluoride catalyst by rapid temperature rise | 北京邮电大学 | 2022-04-19 | — | — | CN | claimed |
| CN-112321388-A | Preparation method of deuterated methanol with high conversion rate | 徐州亚兴医疗科技有限公司 | 2021-02-05 | — | — | CN | claimed |
| CN-111253351-A | Controllable preparation of MIL material and application of MIL material in separation and enrichment of furan compound | 中国科学院大连化学物理研究所 | 2020-06-09 | — | — | CN | claimed |
| US-9868899-B2 | Method of microbially producing metal gallate spinel nano-objects, and compositions produced thereby | UT-BATTELLE, LLC (US) | 2018-01-16 | — | — | US | claimed |
| US-20150118519-A1 | METHOD OF MICROBIALLY PRODUCING METAL GALLATE SPINEL NANO-OBJECTS, AND COMPOSITIONS PRODUCED THEREBY | U.S. DEPARTMENT OF ENERGY | 2015-04-30 | — | — | US | claimed |
| WO-2013169364-A1 | METHOD OF MICROBIALLY PRODUCING METAL GALLATE SPINEL NANO-OBJECTS, AND COMPOSITIONS PRODUCED THEREBY | UT-BATTELLE, LLC (US) | 2013-11-14 | — | — | WO | claimed |
| EP-0234002-B1 | PROCESS FOR CONVERTING A 1,1,1-TRIFLUOROALKANE INTO A 1,1-DIFLUOROALKENE | ATOCHEM NORTH AMERICA, INC. (a Pennsylvania corp.) (US) | 1991-01-09 | — | — | EP | claimed |
| JP-56100764-A | — | — | None | — | — | JP | disclosed |
| JP-55124762-A | — | — | None | — | — | JP | disclosed |
| WO-2025120305-A1 | HEAT-ABSORBING MATERIALS | THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) | 2025-06-12 | — | — | WO | disclosed |
| US-4288599-A | VAPOR PHASE HALOGENATION OF B-PICOLINE WITH CHLORINE AND HYDROGEN FLUORIDE | ISHIHARA SANGYO KAISHA LTD. (JP) | 1981-09-08 | — | — | US | disclosed |
| JP-S56100764-A | PREPARATION OF BETA-TRIFLUOROMETHYLPYRIDINES | ISHIHARA SANGYO KAISHA LTD | 1981-08-12 | — | — | JP | disclosed |
| US-4266064-A | CATALYTIC FLUORINATION IN A VAPOR PHASE | ISHIHARA SANGYO KAISHA LTD. (JP) | 1981-05-05 | — | — | US | disclosed |
| JP-S55124762-A | PREPARATION OF BETA-TRIFLUOROMETHYLPYRIDINE | ISHIHARA SANGYO KAISHA LTD | 1980-09-26 | — | — | JP | disclosed |