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 SCHEMBL11061842 | 1.00 | — | — | |
| Water SCHEMBL2299753 | 1.00 | — | — | |
| Water SCHEMBL94343 | 1.00 | — | — | |
| Water SCHEMBL8477073 | 1.00 | — | — | |
| Water SCHEMBL11059872 | 1.00 | — | — | |
| Water SCHEMBL1983786 | 1.00 | — | — | |
| Water SCHEMBL3644096 | 1.00 | — | — | |
| Water SCHEMBL9297984 | 1.00 | — | — | |
| Water SCHEMBL5802169 | 1.00 | — | — | |
| Water SCHEMBL8153667 | 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
Claimed or disclosed in 91 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109675640-A | A kind of preparation method and application of carbon nitrogen base iron cobalt/cobalt oxide nano-cluster MOF catalyst | 济南大学 | 2019-04-26 | — | — | CN | claimed |
| CN-107647191-A | A kind of Procambius clarkii is cultivated with sorbefacient feed | 明光市兴渔克氏原螯虾良种繁育中心 | 2018-02-02 | — | — | CN | claimed |
| CN-107362304-A | A kind of Chinese medicinal granule electuary for the high slow release for treating acute gastritis | 合肥创新医药技术有限公司 | 2017-11-21 | — | — | CN | claimed |
| CN-106520082-A | Anti-collapse lost circulation additive for protecting petroleum drilling | 易大军 | 2017-03-22 | — | — | CN | claimed |
| CN-105907489-A | Silicon wafer cleaning agent and method for preparing same | 安庆友仁电子有限公司 | 2016-08-31 | — | — | CN | claimed |
| CN-105820545-A | Anti-knock packaging material and preparation method thereof | 苏州倍力特物流设备有限公司 | 2016-08-03 | — | — | CN | claimed |
| CN-105733531-A | Drilling collapse-prevention protectant | 田建频 | 2016-07-06 | — | — | CN | claimed |
| CN-105671534-A | Phosphorus-free and chromium-free corrosion resistant metal surface treatment agent | 繁昌县陈氏金属制品有限公司 | 2016-06-15 | — | — | CN | claimed |
| CN-105647690-A | Detergent for fruits and production technology thereof | 朱仕龙 | 2016-06-08 | — | — | CN | claimed |
| CN-104082159-B | Powder of straw chemical modification and the method in order to prepare cat litter | SHANDONG UNIVERSITY OF TECHNOLOGY (CN) | 2016-04-13 | — | — | CN | claimed |
| CN-102058831-A | Medical composition preparation and preparation method thereof | LIYING LIU | 2011-05-18 | — | — | CN | claimed |
| CN-102058827-A | Medicine composition and detection method of preparations of medicine composition | LIYING LIU | 2011-05-18 | — | — | CN | claimed |
| CN-102058836-A | Medicament composition with effects of resisting thrombus, reducing blood pressure and treating leukemia | LIYING LIU | 2011-05-18 | — | — | CN | claimed |
| CN-102058828-A | Medicinal composition and detection method for preparation thereof | LIYING LIU | 2011-05-18 | — | — | CN | claimed |
| CN-102058829-A | Medicine composition and detection method of preparations of medicine composition | LIYING LIU | 2011-05-18 | — | — | CN | claimed |
| CN-102058834-A | Traditional Chinese medicine composition dispersible tablet capable of lowering blood pressure, reducing heat and resisting inflammation and preparation method thereof | LIYING LIU | 2011-05-18 | — | — | CN | claimed |
| CN-102058833-A | Traditional Chinese medicine composition-type spray or aerosol and preparation method thereof | LIYING LIU | 2011-05-18 | — | — | CN | claimed |
| CN-101328426-A | Formula of emulsified heavy oil | JINYI CHEN (CN) | 2008-12-24 | — | — | CN | claimed |
| CN-101328427-A | Formula of emulsified mixing oil | JINYI CHEN (CN) | 2008-12-24 | — | — | CN | claimed |
| CN-1134449-A | Jewelry cleaning agent | WU CE (CN) | 1996-10-30 | — | — | CN | claimed |