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 SCHEMBL1925758 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL27383561 | 0.89 | — | — | |
| Water SCHEMBL7268286 | 0.89 | — | — | |
| Water SCHEMBL28276463 | 0.89 | — | — | |
| Water SCHEMBL28011831 | 0.89 | — | — | |
| Water SCHEMBL28356694 | 0.89 | — | — | |
| SCHEMBL8757 | 0.87 | — | — | |
| SCHEMBL11367292 | 0.87 | — | — | |
| SCHEMBL906180 | 0.87 | — | — | |
| Water SCHEMBL5311502 | 0.76 | — | — |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109164151-A | A kind of CoNiO of trace detection copper ion2The method of nanometer-material-modified glass-carbon electrode | 石河子大学 | 2019-01-08 | — | — | CN | claimed |
| CN-105112468-B | A kind of method of multienzyme couple system preparation Chiral Amine | 厦门大学 | 2019-01-08 | — | — | CN | claimed |
| CN-105063010-B | A kind of multi-enzyme system and preparation method thereof of polyethyleneimine metal coordination immobilization | 厦门大学 | 2018-08-10 | — | — | CN | claimed |
| US-4018628-A | Process for coloring aluminium | SWISS ALUMINIUM LTD. (CH) | 1977-04-19 | — | — | US | claimed |
| CN-110872230-B | Preparation method of 1- (trifluoromethyl) cyclopropane-1-carboxylic acid compound and intermediate thereof | 浙江九洲药业股份有限公司 | 2023-07-28 | — | — | CN | disclosed |
| CN-110872230-A | Preparation method and intermediate of 1- (trifluoromethyl) cyclopropane-1-carboxylic acid compound | 浙江九洲药业股份有限公司 | 2020-03-10 | — | — | CN | disclosed |
| CN-104288103-B | The method for being used to prepare the bioactive compound of nanoparticulate form | 伊休蒂卡有限公司 | 2019-10-15 | — | — | CN | disclosed |
| CN-109884147-A | A kind of electrochemical method of walnut shell base Carbon Materials modified glassy carbon electrode detection trace heavy metal | 石河子大学 | 2019-06-14 | — | — | CN | disclosed |
| CN-109231239-A | A method of ammonium chloride being recycled in the waste liquid that magnesium fluoride generates from preparing | 湖南有色氟化学科技发展有限公司 | 2019-01-18 | — | — | CN | disclosed |
| CN-105112468-B | A kind of method of multienzyme couple system preparation Chiral Amine | 厦门大学 | 2019-01-08 | — | — | CN | disclosed |
| CN-109135689-A | Completion fluid pH buffer and preparation method thereof | 中国石油集团渤海钻探工程有限公司 | 2019-01-04 | — | — | CN | disclosed |
| CN-108993442-A | A kind of preparation method of the molecular imprinted polymer on surface with high-adsorption-capacity | 上海理工大学 | 2018-12-14 | — | — | CN | disclosed |
| US-4968774-A | WRINKLE RESISTANCE | SOCIETE FRANCAISE HOECHST (FR) | 1990-11-06 | — | — | US | disclosed |
| CN-1009090-B | Preparation method of compound capable of resisting cancer and relieving pain | WANG YUBU (CN) | 1990-08-08 | — | — | CN | disclosed |
| US-4778792-A | Use of 7-acyl benzoxazinones and their derivatives in treating atheromatous disorders | LABORATORIES NEGMA (FR) | 1988-10-18 | — | — | US | disclosed |
| CN-86103115-A | A kind of energy is anticancer, analgesic compound and method for making and purposes | — | 1987-11-11 | — | — | CN | disclosed |
| US-4574059-A | PHOSGENATION OF DIAMINE FORMED FROM HYDROGENATION AND HYDROGENOLYSIS OF 1,2-DIAZA-1,5,9-CYCLODODECADIENE | ATOCHEM (FR) | 1986-03-04 | — | — | US | disclosed |
| EP-0027242-B1 | POLYMERIC ULTRAVIOLET ABSORBERS, PHOTOGRAPHIC MATERIAL INCLUDING THEM, AND PROCESS | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1985-01-02 | — | — | EP | disclosed |
| US-4173706-A | REACTING WITH MOLYBDENUM HEXAFLUORIDE | INSTITUTE NATIONAL DE RECHERCHE CHIMIQUE APPLIQUEE (FR) | 1979-11-06 | — | — | US | disclosed |
| US-4018628-A | Process for coloring aluminium | SWISS ALUMINIUM LTD. (CH) | 1977-04-19 | — | — | US | disclosed |