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 | |
|---|---|---|---|---|
| SCHEMBL3033923 | 0.96 | — | — | |
| Water SCHEMBL28105505 | 0.93 | — | — | |
| Water SCHEMBL28179419 | 0.88 | — | — | |
| Methyl Alcohol SCHEMBL29100088 | 0.85 | — | — | |
| Nitric Acid SCHEMBL29022070 | 0.85 | — | — | |
| Water SCHEMBL28899355 | 0.71 | MEN1 (0.67) | — | |
| Water SCHEMBL9436506 | 0.71 | MEN1 (0.67) | — | |
| Water SCHEMBL9436463 | 0.71 | MEN1 (0.67) | — | |
| Water SCHEMBL15129185 | 0.67 | — | — | |
| SCHEMBL135544 | 0.66 | MEN1 (0.75) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105481727-B | A kind of synthetic method of triaminoguanidinium nitrate industrialized production | 湖北航天化学技术研究所 | 2019-08-23 | — | — | CN | claimed |
| CN-102653827-A | Treating process of gold electrolytic anode mud | SHAANXI GOLD GROUP XI AN TAIJIN CO LTD | 2012-09-05 | — | — | CN | claimed |
| CN-107652228-B | Synthesis method of anti-renal fibrosis drug 1- (substituted benzyl) -5-trifluoromethyl-2 (1H) -pyridone hydrochloride | 广州南新制药有限公司 | 2020-04-14 | — | — | CN | disclosed |
| CN-106512998-B | Cobalt, magnesium oxide method for preparing composite catalyst and application | 南昌师范学院 | 2019-05-14 | — | — | CN | disclosed |
| CN-106512998-B | Cobalt, magnesium oxide method for preparing composite catalyst and application | 南昌师范学院 | 2019-05-14 | — | — | CN | disclosed |
| CN-104356092-B | Preparation method for vortioxetine | 合肥创新医药技术有限公司 | 2017-03-22 | — | — | CN | disclosed |
| CN-106512998-A | Preparation method for cobalt oxide-magnesium oxide composite catalyst and application | 南昌师范学院 | 2017-03-22 | — | — | CN | disclosed |
| CN-106512998-A | Preparation method for cobalt oxide-magnesium oxide composite catalyst and application | 南昌师范学院 | 2017-03-22 | — | — | CN | disclosed |
| CN-103113268-B | The preparation method of sulfonic acid iron and alcoholic solution thereof | SHENZHEN CAPCHEM TECHNOLOGY CO.，LTD. (CN) | 2016-03-02 | — | — | CN | disclosed |
| CN-103380142-A | Isoxazolidine derivatives | CHIESI FARMA SPA | 2013-10-30 | — | — | CN | disclosed |
| CN-102653827-A | Treating process of gold electrolytic anode mud | SHAANXI GOLD GROUP XI AN TAIJIN CO LTD | 2012-09-05 | — | — | CN | disclosed |
| CN-101696172-A | Method for preparing o-amino-p-tertiary butyl phenol | UNIV ZHEJIANG | 2010-04-21 | — | — | CN | disclosed |