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 SCHEMBL890974 | 1.00 | — | — | |
| Water SCHEMBL236076 | 1.00 | — | — | |
| Water SCHEMBL720465 | 1.00 | — | — | |
| Water SCHEMBL384633 | 1.00 | — | — | |
| Water SCHEMBL11290320 | 1.00 | — | — | |
| Water SCHEMBL4169204 | 1.00 | — | — | |
| Water SCHEMBL29155119 | 1.00 | — | — | |
| Water SCHEMBL4276430 | 1.00 | — | — | |
| Water SCHEMBL720464 | 1.00 | — | — | |
| Water SCHEMBL2701729 | 0.93 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115197768-B | Lubricant for medium-low temperature metal hot working and preparation method thereof | 东北大学 | 2023-04-28 | — | — | CN | claimed |
| CN-115197768-A | Lubricant for medium and low temperature metal hot working and preparation method thereof | 东北大学 | 2022-10-18 | — | — | CN | claimed |
| US-20240175141-A1 | BIOBASED AND BIODEGRADABLE CORROSION INHIBITION COMPOSITION | ZestBio, Inc. | 2024-05-30 | — | — | US | disclosed |
| WO-2024081967-A2 | BIOBASED AND BIODEGRADABLE CORROSION INHIBITION COMPOSITION | ZestBio, Inc. (US) | 2024-04-18 | — | — | WO | disclosed |
| CN-115197768-B | Lubricant for medium-low temperature metal hot working and preparation method thereof | 东北大学 | 2023-04-28 | — | — | CN | disclosed |
| CN-115197768-A | Lubricant for medium and low temperature metal hot working and preparation method thereof | 东北大学 | 2022-10-18 | — | — | CN | disclosed |
| CN-109908898-B | Fischer-Tropsch synthesis catalyst and preparation method thereof | 中国石油化工股份有限公司 | 2021-10-08 | — | — | CN | disclosed |
| EP-1934161-A2 | CATALYST AND PROCESS FOR SELECTIVE HYDROCONVERSION OF NORMAL PARAFFING TO NORMAL PARAFFIN-RICH LIGHTER PRODUCTS | Chevron U.S.A., Inc. (US) | 2008-06-25 | — | — | EP | disclosed |
| WO-2007019457-A2 | CATALYST AND PROCESS FOR SELECTIVE HYDROCONVERSION OF NORMAL PARAFFING TO NORMAL PARAFFIN-RICH LIGHTER PRODUCTS | CHEVRON U.S.A. INC. (US) | 2007-02-15 | — | — | WO | disclosed |
| US-20070032692-A1 | Catalyst and process for selective hydroconversion of normal paraffins to normal paraffin-rich lighter products | CHEVRON U.S.A. INC. | 2007-02-08 | — | — | US | disclosed |
| EP-0821267-B1 | Hardening a hydrophilic colloid composition | EASTMAN KODAK CO (US) | 2001-11-14 | — | — | EP | disclosed |
| US-5800977-A | Hardening a hydrophilic colloid composition | EASTMAN KODAK COMPANY (US) | 1998-09-01 | — | — | US | disclosed |
| EP-0821267-A1 | Hardening a hydrophilic colloid composition | EASTMAN KODAK COMPANY (US) | 1998-01-28 | — | — | EP | disclosed |