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 SCHEMBL29088662 | 1.00 | TSHR (0.32) | — | |
| Water SCHEMBL29768404 | 0.95 | — | — | |
| Water SCHEMBL28146732 | 0.95 | — | — | |
| Water SCHEMBL28326074 | 0.95 | — | — | |
| SCHEMBL251442 | 0.94 | ALDH1A1 (0.33) | — | |
| Methyl Alcohol SCHEMBL2405349 | 0.91 | — | — | |
| SCHEMBL4110370 | 0.89 | — | — | |
| SCHEMBL15375922 | 0.89 | — | — | |
| Hydrogen Sulfide SCHEMBL20377931 | 0.89 | — | — | |
| Bromide SCHEMBL1450110 | 0.89 | — | — |
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 392 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3968419-B1 | NON-AQUEOUS ELECTROLYTE BATTERY AND METHOD FOR MANUFACTURING SAME | MAXELL LTD (JP) | 2024-03-13 | — | — | EP | claimed |
| EP-2380229-B1 | LITHIUM CELL WITH IRON DISULFIDE CATHODE AND IMPROVED ELECTROLYTE | GILLETTE CO (US) | 2015-11-25 | — | — | EP | claimed |
| WO-2013006218-A1 | METHODOLOGY FOR DETERMINATION OF NITROGEN CONTENT IN NITROCELLULOSE | ALLIANT TECHSYSTEMS INC. (US) | 2013-01-10 | — | — | WO | claimed |
| US-20130000382-A1 | METHODOLOGY FOR DETERMINATION OF NITROGEN CONTENT IN NITROCELLULOSE | ALLIANT TECHSYSTEMS, INC. (US) | 2013-01-03 | — | — | US | claimed |
| EP-2380229-A1 | LITHIUM CELL WITH IRON DISULFIDE CATHODE AND IMPROVED ELECTROLYTE | The Gillette Company (US) | 2011-10-26 | — | — | EP | claimed |
| WO-2010085406-A1 | LITHIUM CELL WITH IRON DISULFIDE CATHODE AND IMPROVED ELECTROLYTE | THE GILLETTE COMPANY (US) | 2010-07-29 | — | — | WO | claimed |
| US-20100183913-A1 | LITHIUM CELL WITH IRON DISULFIDE CATHODE AND IMPROVED ELECTROLYTE | DURACELL U.S. OPERATIONS, INC. | 2010-07-22 | — | — | US | claimed |
| US-20100029939-A1 | PREPARATION OF KETONE AMIDES | SCHERING CORPORATION | 2010-02-04 | — | — | US | claimed |
| US-6841665-B2 | Method for synthesizing 5β, 6β-epoxides of steroids by a highly β-selective epoxidation of ΔΔ5-unsaturated steroids catalyzed by ketones | THE UNIVERSITY OF HONG KONG (CN) | 2005-01-11 | — | — | US | claimed |
| WO-2003074545-A1 | METHOD FOR SYNTHESIZING 5ß, 6ß-EPOXIDES OF STEROIDS BY A HIGHLY ß-SELECTIVE EPOXIDATION OF Δ5-UNSATURATED STEROIDS CATALYZED BY KETONES | THE UNIVERSITY OF HONG KONG (CN) | 2003-09-12 | — | — | WO | claimed |
| US-20030018188-A1 | Method for synthesizing 5beta, 6beta-epoxides of steroids by a highly beta-selective epoxidation of delta5-unsaturated steroids catalyzed by ketones | UNIVERSITY OF HONG KONG, THE (HK) | 2003-01-23 | — | — | US | claimed |
| EP-0775146-B1 | NOVEL PROCESS FOR THE PREPARATION OF DIISOPINOCAMPHEYLCHLOROBORANE | MERCK & CO INC (US) | 2002-06-12 | — | — | EP | claimed |
| EP-0486704-B1 | ORGANIC ELECTROLYTIC BATTERY | HITACHI MAXELL (JP) | 1999-03-31 | — | — | EP | claimed |
| EP-0385724-B1 | Improved method for preparing non-aqueous electrolytes | DURACELL INC (US) | 1993-12-15 | — | — | EP | claimed |
| EP-0224829-B1 | POLYALLOOCIMENE AND METHOD FOR THE PREPARATION THEREOF | Union Camp Corporation (US) | 1990-07-25 | — | — | EP | claimed |
| EP-4613272-A1 | USE OF PYRIDINE DERIVATIVE WHICH IS TRPV1 ANTAGONIST | Shionogi & Co., Ltd (JP) | 2025-09-10 | — | — | EP | disclosed |
| US-20250073226-A1 | USE OF OPIOID FOR TREATMENT OF AUTISM SPECTRUM DISORDERS | OSAKA UNIVERSTIY (JP) | 2025-03-06 | — | — | US | disclosed |
| US-4242519-A | DRUG INTERMEDIATES | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1980-12-30 | — | — | US | disclosed |
| US-4117234-A | DERIVATIVES OF 2-(6-PHENYLHEX-3-ENYL)-CYCLOPENT-2-EN-1-OL | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 1978-09-26 | — | — | US | disclosed |
| US-3941779-A | Method for producing 2-(substituted thio)-3-cephem derivatives | E. R. SQUIBB & SONS, INC. (US) | 1976-03-02 | — | — | US | disclosed |