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 SCHEMBL7042237 | 1.00 | MEN1 (0.67) | — | |
| Water SCHEMBL8781376 | 1.00 | — | — | |
| Water SCHEMBL3419495 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL10598501 | 0.94 | MEN1 (0.60) | — | |
| Water SCHEMBL28398822 | 0.94 | MEN1 (0.75) | — | |
| Water SCHEMBL28478211 | 0.94 | MEN1 (0.75) | — | |
| SCHEMBL9166406 | 0.94 | — | — | |
| SCHEMBL1228248 | 0.94 | MEN1 (0.75) | — | |
| Water SCHEMBL2590832 | 0.94 | MEN1 (0.75) | — | |
| Water SCHEMBL10566608 | 0.94 | MEN1 (0.75) | — |
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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109790634-B | Electrode for electrolysis and preparation method thereof | 株式会社LG化学 | 2021-02-23 | — | — | CN | claimed |
| CN-112654630-B | Tetradentate diaminodiphosphine ligands, transition metal complexes, methods for their production and use thereof | 高砂香料工业株式会社 | 2024-05-24 | — | — | CN | disclosed |
| WO-2022181400-A1 | GAS SENSOR | 国立研究開発法人科学技術振興機構 | 2022-09-01 | — | — | WO | disclosed |
| CN-112654630-A | Tetradentate diamino diphosphine ligand, transition metal complex, their production method and use | 高砂香料工业株式会社 | 2021-04-13 | — | — | CN | disclosed |
| US-10938029-B2 | Sodium-based electrode active material and secondary battery comprising same | INDUSTRY-ACADEMIA COOPERATION GROUP OF SEJONG UNIVERSITY (KR) | 2021-03-02 | — | — | US | disclosed |
| CN-109790634-B | Electrode for electrolysis and preparation method thereof | 株式会社LG化学 | 2021-02-23 | — | — | CN | disclosed |
| US-10462908-B2 | Conductive patterns and methods of using them | ALPHA ASSEMBLY SOLUTIONS INC. (US) | 2019-10-29 | — | — | US | disclosed |
| US-20190207213-A1 | SODIUM-BASED ELECTRODE ACTIVE MATERIAL AND SECONDARY BATTERY COMPRISING SAME | INDUSTRY-ACADEMIA COOPERATION GROUP OF SEJONG UNIVERSITY (KR) | 2019-07-04 | — | — | US | disclosed |
| EP-2064000-B1 | SOLVENT SYSTEMS FOR METALS AND INKS | ALPHA ASSEMBLY SOLUTIONS INC (US) | 2018-01-17 | — | — | EP | disclosed |
| US-20170164484-A1 | Conductive Patterns and Methods of Using Them | CITIBANK, N.A. | 2017-06-08 | — | — | US | disclosed |
| US-20080032047-A1 | PARTICLES AND INKS AND FILMS USING THEM | CITIBANK, N.A. | 2008-02-07 | — | — | US | disclosed |
| WO-2008017062-A1 | PARTICLES AND INKS AND FILMS USING THEM | FRY'S METALS, INC. (US) | 2008-02-07 | — | — | WO | disclosed |
| US-7097786-B2 | Supported rhodium-spinel catalysts and process for producing synthesis gas | CONOCOPHILLIPS COMPANY (US) | 2006-08-29 | — | — | US | disclosed |
| US-20030045423-A1 | Supported rhodium-lanthanide based catalysts and process for producing synthesis gas | CONOCO INC. | 2003-03-06 | — | — | US | disclosed |
| WO-2002098557-A1 | SUPPORTED RHODIUM-LANTHANIDE BASED CATALYSTS AND PROCESS FOR PRODUCING SYNTHESIS GAS | CONOCO INC. (US) | 2002-12-12 | — | — | WO | disclosed |
| US-20020172642-A1 | Supported rhodium-spinel catalysts and process for producing synthesis gas | CONOCO INC. | 2002-11-21 | — | — | US | disclosed |
| WO-2002066403-A1 | SUPPORTED RHODIUM-SPINEL CATALYSTS AND PROCESS FOR PRODUCING SYNTHESIS GAS | CONOCO INC. (US) | 2002-08-29 | — | — | WO | disclosed |
| US-4506033-A | Process for producing oxygen-containing hydrocarbon compounds | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1985-03-19 | — | — | US | disclosed |
| EP-0022358-B1 | PROCESS FOR PRODUCING OXYGEN-CONTAINING HYDROCARBON COMPOUNDS | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1983-06-22 | — | — | EP | disclosed |
| EP-0022358-A1 | Process for producing oxygen-containing hydrocarbon compounds | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1981-01-14 | — | — | EP | disclosed |