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 SCHEMBL16244 | 1.00 | — | — | |
| Water SCHEMBL11776131 | 1.00 | — | — | |
| Water SCHEMBL4407393 | 1.00 | — | — | |
| Water SCHEMBL15484266 | 1.00 | — | — | |
| Water SCHEMBL20503800 | 1.00 | — | — | |
| Water O 15 SCHEMBL25428717 | 1.00 | — | — | |
| SCHEMBL9235412 | 1.00 | — | — | |
| Water SCHEMBL2121635 | 1.00 | — | — | |
| Water SCHEMBL20338157 | 1.00 | — | — | |
| Water SCHEMBL19064 | 1.00 | — | — |
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
Appears in 17910122 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6432995-B1 | — | — | None | — | — | US | claimed |
| US-6423486-B1 | — | — | None | — | — | US | claimed |
| US-6432191-B1 | — | — | None | — | — | US | claimed |
| EP-3078724-B1 | PROCESS FOR PRODUCING BIODIESEL AND RELATED PRODUCTS | ARGENT ENERGY UK LTD (GB) | 2019-10-23 | — | — | EP | claimed |
| US-20180037739-A1 | COMPOUND AND COMPOSITION CONTAINING SAME | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2018-02-08 | — | — | US | claimed |
| US-20180036295-A1 | METHODS FOR TREATING PROTEINOPATHIES | GENZYME CORPORATION | 2018-02-08 | — | — | US | claimed |
| US-20180037973-A1 | METHOD FOR THE TREATMENT OF METALLIC PARTICLES AND OBJECTS CONTAMINATED WITH METALLIC PARTICLES | MT2, LLC | 2018-02-08 | — | — | US | claimed |
| US-20180037532-A1 | RECOVERY PROCESS FOR FUNCTIONALIZED COMPOUND REACTION PRODUCT | THE SCRIPPS RESEARCH INSTITUTE (US) | 2018-02-08 | — | — | US | claimed |
| US-20180037694-A1 | Aqueous Peptide-Functionalized Polyurethane Dispersions | HUMBOLDT-UNIVERSITÄT ZU BERLIN (DE) | 2018-02-08 | — | — | US | claimed |
| US-20180037564-A1 | HETEROCYCLE-SUBSTITUTED BICYCLIC AZOLE PESTICIDES | FMC CORPORATION | 2018-02-08 | — | — | US | claimed |
| US-4001278-A | INDOLE PHTHALIDES AND NAPHTHALIDES | POLAROID CORPORATION (US) | 1977-01-04 | — | — | US | claimed |
| US-4001411-A | ANTHELMINTICS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1977-01-04 | — | — | US | claimed |
| US-4001426-A | HAVING CORONARY VASODILATOR ACTIVITY | SMITHKLINE CORPORATION (US) | 1977-01-04 | — | — | US | claimed |
| US-4001416-A | PYRIDINECARBOXYLIC ACID DERIVATIVES | BASF AKTIENGESELLSCHAFT (DT) | 1977-01-04 | — | — | US | claimed |
| US-4001295-A | 11,12-DIFLUOROMETHYLENE SUBSTITUTED PROSTANOIC AND PROST-5-CIS-ENOIC ACID DERIVATIVES | SYNTEX (U.S.A.) INC. (US) | 1977-01-04 | — | — | US | claimed |
| US-4001058-A | BORON CAGE POLYMERS | ROHM AND HAAS COMPANY (US) | 1977-01-04 | — | — | US | claimed |
| US-4001250-A | PROCESS FOR PREPARING 4-AMINO-2,2,6,6-TETRAMETHYL PIPERIDINE | BAYER AKTIENGESELLSCHAFT (DT) | 1977-01-04 | — | — | US | claimed |
| US-4001249-A | CYCLOCOUPLING N-ACYLPYRROLE AND A,A*-HALOGENOKETONE, REDUCING AGENTS | SANWA KAGAKU KENKYUSHO CO. LTD. (JA) | 1977-01-04 | — | — | US | claimed |
| US-4001218-A | BACTERICIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-01-04 | — | — | US | claimed |
| US-4001060-A | REACTION WITH ACID OR ALDEHYDE, STABILIZATION | OLIN CORPORATION (US) | 1977-01-04 | — | — | US | claimed |