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 SCHEMBL17629249 | 1.00 | — | — | |
| Water SCHEMBL1465626 | 1.00 | — | — | |
| Water SCHEMBL30488446 | 1.00 | — | — | |
| Water SCHEMBL7995199 | 1.00 | — | — | |
| Water SCHEMBL230149 | 1.00 | — | — | |
| Water SCHEMBL17629250 | 1.00 | — | — | |
| Water SCHEMBL22322406 | 0.91 | — | — | |
| Water SCHEMBL17199831 | 0.91 | — | — | |
| Water SCHEMBL22581632 | 0.91 | — | — | |
| Water SCHEMBL20742992 | 0.91 | — | — |
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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0382067-B1 | 3,7,11-Trimethyl dodeca-2,4,6,10-tetraen-1-yl phosphonium salts | HOFFMANN LA ROCHE (CH) | 1995-12-06 | — | — | EP | claimed |
| US-5208381-A | Method for the manufacture of carotinoids and novel intermediates | HOFFMANN-LA ROCHE INC. (US) | 1993-05-04 | — | — | US | claimed |
| JP-2235894-A | — | — | None | — | — | JP | disclosed |
| CN-110785420-A | Oxazabenzopyrazole derivatives as inhibitors of PI 3-kinase activity | 葛兰素史克知识产权开发有限公司 | 2020-02-11 | — | — | CN | disclosed |
| US-6630605-B2 | Crude phosphonium salt passed over a bed of a cation exchange resin in salt form or of an adsorber resin, the resin is washed with polar protic or nonpolar solvents, the phosphonium is eluted with an electrolyte | BASF AKTIENGESELLSCHAFT (DE) | 2003-10-07 | — | — | US | disclosed |
| US-20020193637-A1 | Process for the purification of phosphonium salts | BASF AKTIENGESELLSCHAFT (DE) | 2002-12-19 | — | — | US | disclosed |
| EP-0382067-B1 | 3,7,11-Trimethyl dodeca-2,4,6,10-tetraen-1-yl phosphonium salts | HOFFMANN LA ROCHE (CH) | 1995-12-06 | — | — | EP | disclosed |
| EP-0670845-A1 | PROCESS FOR THE PREPARATION OF FLUDARABINE PHOSPHATE FROM GUANOSINE | SCHERING AKTIENGESELLSCHAFT (DE) | 1995-09-13 | — | — | EP | disclosed |
| WO-1994012514-A1 | PROCESS FOR THE PREPARATION OF FLUDARABINE PHOSPHATE FROM GUANOSINE | SCHERING AKTIENGESELLSCHAFT (DE) | 1994-06-09 | — | — | WO | disclosed |
| US-5208381-A | Method for the manufacture of carotinoids and novel intermediates | HOFFMANN-LA ROCHE INC. (US) | 1993-05-04 | — | — | US | disclosed |
| US-5208381-A | Method for the manufacture of carotinoids and novel intermediates | HOFFMANN-LA ROCHE INC. (US) | 1993-05-04 | — | — | US | disclosed |
| US-4495185-A | CARDIOTONIC AND/OR HYPOTENSIVE AGENTS | IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) | 1985-01-22 | — | — | US | disclosed |
| US-4493835-A | CARDIOTONIC, HYPOTENSIVE AGENTS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-01-15 | — | — | US | disclosed |
| US-4489074-A | CARDIOTONIC AGENTS, HYPOTENSIVE AGENTS | IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) | 1984-12-18 | — | — | US | disclosed |
| US-4489073-A | HYPOTENSIVE AND CARDIOTONIC AGENTS | IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) | 1984-12-18 | — | — | US | disclosed |
| US-4423045-A | CARDIOVASCULAR DISORDERS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-12-27 | — | — | US | disclosed |
| EP-0086301-A1 | Thiadiazine, oxadiazine and triazine derivatives and pharmaceutical compositions containing them | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-08-24 | — | — | EP | disclosed |
| EP-0085227-A1 | Thiadiazine derivatives, and pharmaceutical compositions containing them | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-08-10 | — | — | EP | disclosed |
| EP-0080296-A1 | Pharmaceutically active phenyl-thia-, oxa- or triazinones | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-06-01 | — | — | EP | disclosed |
| EP-0052442-A1 | Heterocyclic compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1982-05-26 | — | — | EP | disclosed |