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 SCHEMBL28530228 | 1.00 | — | — | |
| Water SCHEMBL28856963 | 0.89 | — | — | |
| Water SCHEMBL10788052 | 0.89 | — | — | |
| SCHEMBL1294416 | 0.89 | — | — | |
| Water SCHEMBL8395021 | 0.89 | — | — | |
| Water SCHEMBL297045 | 0.89 | — | — | |
| SCHEMBL23456637 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL523015 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL3690953 | 0.80 | — | — | |
| SCHEMBL21678776 | 0.80 | — | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105772105-B | A kind of modified hydrogen at-ing catalyst carrier and preparation method thereof | 中国石油化工股份有限公司 | 2019-04-16 | — | — | CN | claimed |
| CN-105772005-B | A kind of method of hydrogenation catalyst and preparation method thereof and heavy oil hydrodesulfurization | 中国石油化工股份有限公司 | 2019-03-22 | — | — | CN | claimed |
| CN-109338483-A | The preparation method of self-supporting nanofiber superhigh temperature filter membrane material | 西安工程大学 | 2019-02-15 | — | — | CN | claimed |
| CN-107379672-A | A kind of resistant to elevated temperatures multi-layer ceramics cotton plate | 苏州宏久航空防热材料科技有限公司 | 2017-11-24 | — | — | CN | claimed |
| CN-110475611-A | Catalytic article | BASF CORP | 2019-11-19 | — | — | CN | disclosed |
| CN-110100080-A | For reducing the integrated SCR catalyst and LNT of NOx | 巴斯夫公司 | 2019-08-06 | — | — | CN | disclosed |
| CN-110072609-A | H is used for diesel vehicle2The low temperature NO of-SCRXReduction | 巴斯夫公司 | 2019-07-30 | — | — | CN | disclosed |
| CN-110000905-A | A kind of heat-barrier material, hot runner plastic injection mould and Shooting Technique | 蓝思科技（长沙）有限公司 | 2019-07-12 | — | — | CN | disclosed |
| CN-109338483-A | The preparation method of self-supporting nanofiber superhigh temperature filter membrane material | 西安工程大学 | 2019-02-15 | — | — | CN | disclosed |
| CN-109331807-A | Self-supporting perofskite type oxide nanofiber catalytic purification material and preparation method | 西安工程大学 | 2019-02-15 | — | — | CN | disclosed |
| CN-107167013-B | A kind of accumulation of energy heat-exchanger rig | 天津朗华科技发展有限公司 | 2018-09-25 | — | — | CN | disclosed |
| CN-107379672-A | A kind of resistant to elevated temperatures multi-layer ceramics cotton plate | 苏州宏久航空防热材料科技有限公司 | 2017-11-24 | — | — | CN | disclosed |
| CN-107167013-A | A kind of accumulation of energy heat-exchanger rig | 郑善 | 2017-09-15 | — | — | CN | disclosed |
| CN-102652365-B | There is silicon film solar batteries of improvement mist degree and preparation method thereof | PPG INDUSTRIES OHIO, INC. (US) | 2016-11-30 | — | — | CN | disclosed |
| CN-102804390-B | Silicon thin film solar cell with improved undercoating | PPG工业俄亥俄公司 | 2016-08-31 | — | — | CN | disclosed |
| CN-105777205-A | Preparing method of abrasion-resistant and corrosion-resistant transparent aluminum oxide ceramic tube | 宁波泰格尔陶瓷有限公司 | 2016-07-20 | — | — | CN | disclosed |
| US-4696749-A | Oxidative treatment of wastewaters | BASF AKTIENGESELLSCHAFT (DE) | 1987-09-29 | — | — | US | disclosed |
| US-4670360-A | Fuel cell | BASF AKTIENGESELLSCHAFT (DE) | 1987-06-02 | — | — | US | disclosed |
| US-4601800-A | Preparation of aqueous solutions of hydroxylammonium carbonate | BASF AKTIENGESELLSCHAFT (DE) | 1986-07-22 | — | — | US | disclosed |