Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 SCHEMBL9156696 | 0.82 | — | — | |
| Water SCHEMBL119 | 0.82 | — | — | |
| Water SCHEMBL3835534 | 0.82 | — | — | |
| Water SCHEMBL8984178 | 0.82 | CA1 (0.33) | — | |
| Water SCHEMBL1333092 | 0.82 | — | — | |
| Water SCHEMBL430526 | 0.82 | — | — | |
| Water SCHEMBL1313632 | 0.82 | CA1 (0.33) | — | |
| Water SCHEMBL9003163 | 0.82 | CA1 (0.33) | — | |
| Water SCHEMBL8937182 | 0.67 | — | — | |
| Potassium Ion SCHEMBL5535268 | 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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5245042-A | Preparation of cis-2-(1H-1,2,4-triazol-1-ylmethyl)-2-(halopheny)-3-(halophenyl) oxirane | BASF AKTIENGESELLSCHAFT (DE) | 1993-09-14 | — | — | US | claimed |
| EP-0090946-B1 | PROCESS FOR THE PREPARATION OF DIHYDROXYALUMINIUM SODIUM CARBONATE | Giulini Chemie GmbH (DE) | 1985-10-02 | — | — | EP | claimed |
| US-12011389-B2 | Heating using electrochemical power source | L3Harris Open Water Power, Inc. (US) | 2024-06-18 | — | — | US | disclosed |
| CN-103657663-B | Olefin oxychlorination catalyst and preparation method thereof and the preparation method of dichloroethanes | 中国石油化工股份有限公司 | 2016-09-21 | — | — | CN | disclosed |
| CN-103657664-B | A kind of preparation method of olefin oxychlorination catalyst and its preparation method and application and dichloroethanes | 中国石油化工股份有限公司 | 2016-06-29 | — | — | CN | disclosed |
| CN-104739923-A | Folium orthosiphoni total phenol for treating chronic nephritis and preparation method of folium orthosiphoni total phenol | UNIV SHANGHAI JIAOTONG | 2015-07-01 | — | — | CN | disclosed |
| CN-103787980-A | Preparation method for ozagrel intermediate | JINAN XINHEYUAN TECHNOLOGY CO LTD | 2014-05-14 | — | — | CN | disclosed |
| WO-2012140170-A2 | AN APPARATUS FOR GENERATING HEAT | COLLINS MARK (GB) | 2012-10-18 | — | — | WO | disclosed |
| EP-2486338-A2 | AN APPARATUS FOR GENERATING HEAT | Collins, Mark (GB) | 2012-08-15 | — | — | EP | disclosed |
| WO-2011042702-A2 | AN APPARATUS FOR GENERATING HEAT | COLLINS MARK (GB) | 2011-04-14 | — | — | WO | disclosed |
| EP-1749796-A1 | Method for generating hydrogen gas | Air Products and Chemicals, Inc. (US) | 2007-02-07 | — | — | EP | disclosed |
| US-20070020174-A1 | Method for generating hydrogen gas | AIR PRODUCTS AND CHEMICALS, INC. | 2007-01-25 | — | — | US | disclosed |
| US-5245042-A | Preparation of cis-2-(1H-1,2,4-triazol-1-ylmethyl)-2-(halopheny)-3-(halophenyl) oxirane | BASF AKTIENGESELLSCHAFT (DE) | 1993-09-14 | — | — | US | disclosed |
| US-5141610-A | Electrodialytic process for restoring sodium hydroxide etchants for aluminum | VAUGHAN DANIEL J (US) | 1992-08-25 | — | — | US | disclosed |