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 SCHEMBL383055 | 1.00 | — | — | |
| Water SCHEMBL5353098 | 1.00 | — | — | |
| Water SCHEMBL8911037 | 1.00 | — | — | |
| Water SCHEMBL8063198 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL106286 | 0.82 | — | — | |
| Water SCHEMBL23461833 | 0.67 | — | — | |
| Water SCHEMBL23631871 | 0.67 | — | — | |
| Water SCHEMBL20562889 | 0.67 | — | — | |
| Water SCHEMBL25334174 | 0.67 | — | — | |
| Water SCHEMBL21379772 | 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 846 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119951533-A | Layered nickel-aluminum bimetallic oxide supported bimetallic active component catalyst and preparation method thereof, and method for preparing primary amine by reductive amination of biomass carbonyl compound | 陕西科技大学 | 2025-05-09 | — | — | CN | claimed |
| CN-115700297-B | Electrode material for synthesizing nitrous oxide and preparation method and application thereof | 万华化学集团股份有限公司 | 2025-04-01 | — | — | CN | claimed |
| CN-119703048-A | Multi-element metal nano-sheet, preparation method and application thereof | 华能伊敏煤电有限责任公司 | 2025-03-28 | — | — | CN | claimed |
| US-20250083137-A1 | SUPPORTED HYDROFORMYLATION CATALYST AND PREPARATION METHOD THEREOF, AND METHOD FOR SYNTHESIZING 4-ACETYLOXY-2-METHYL-2-BUTENAL | SHAOXING UNIVERSITY (CN) | 2025-03-13 | — | — | US | claimed |
| CN-119114131-A | Cobalt-rhodium doped nitriding active carbon supported composite catalyst and preparation method and application thereof | 中国科学院青岛生物能源与过程研究所 | 2024-12-13 | — | — | CN | claimed |
| CN-118988303-A | Hydrothermally stable core-shell structure three-way catalyst and preparation method and application thereof | 宁波诺丁汉大学 | 2024-11-22 | — | — | CN | claimed |
| CN-118751265-A | Isononaldehyde catalyst for diisobutylene hydroformylation and preparation method and application thereof | 中国科学院青岛生物能源与过程研究所 | 2024-10-11 | — | — | CN | claimed |
| CN-118724689-A | Method for preparing glycolaldehyde by bridged catalytic formylating formaldehyde | 天津大学 | 2024-10-01 | — | — | CN | claimed |
| CN-118702863-A | Preparation of biphosphine polymer-embedded rhodium-based catalyst and its use in CO2Use of hydroformylation of olefins as a source of carbonyl | 中国科学院兰州化学物理研究所 | 2024-09-27 | — | — | CN | claimed |
| CN-118616057-A | High-entropy alloy hydrotalcite-like oxide composite material, and preparation method and application thereof | 安徽师范大学 | 2024-09-10 | — | — | CN | claimed |
| US-4500458-A | CATALYST FROM RHODIUM SALT OR A COMPLEX WITH A HYDRAZINE | PLURICHEMIE ANSTALT (LI) | 1985-02-19 | — | — | US | claimed |
| EP-0126501-A2 | Process for the preparation of alpha-haloalkyl esters | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1984-11-28 | — | — | EP | claimed |
| EP-0031606-B1 | PROCESS FOR THE CO-PRODUCTION OF CARBOXYLIC ACIDS AND CARBOXYLIC ACID ESTERS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1983-08-24 | — | — | EP | claimed |
| EP-0085204-A1 | Process for the co-production of carboxylic acids and carboxylic acid esters | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1983-08-10 | — | — | EP | claimed |
| EP-0083121-A1 | Process for the co-production of carboxylic acids and carboxylic acid esters | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1983-07-06 | — | — | EP | claimed |
| EP-0075337-A1 | Process for the co-production of carboxylic acids and carboxylic acid esters | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1983-03-30 | — | — | EP | claimed |
| EP-0075335-A1 | Process for the co-production of carboxylic acids and carboxylic acid esters | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1983-03-30 | — | — | EP | claimed |
| EP-0072055-A1 | Process for the co-production of carboxylic acids and carboxylic acid esters | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1983-02-16 | — | — | EP | claimed |
| US-4356126-A | IN PRESENCE OF GROUP VIII COMPOUND AND PENTACHLOROBENZENETHIOL | SHELL OIL COMPANY (US) | 1982-10-26 | — | — | US | claimed |
| EP-0031606-A1 | Process for the co-production of carboxylic acids and carboxylic acid esters | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1981-07-08 | — | — | EP | claimed |