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 SCHEMBL28154778 | 1.00 | — | — | |
| Water SCHEMBL28617541 | 1.00 | — | — | |
| Water SCHEMBL27139545 | 1.00 | — | — | |
| Water SCHEMBL28572506 | 1.00 | — | — | |
| Water SCHEMBL2178451 | 1.00 | — | — | |
| Water SCHEMBL50183 | 1.00 | — | — | |
| Water SCHEMBL1051679 | 1.00 | — | — | |
| Water SCHEMBL11417389 | 1.00 | — | — | |
| Water SCHEMBL139170 | 1.00 | — | — | |
| Water SCHEMBL27991690 | 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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115028435-B | High-density tundish dry material and preparation method thereof | 张家港市恒乐阳方高温材料有限公司 | 2023-10-20 | — | — | CN | claimed |
| CN-115028435-A | High-density tundish dry material and preparation method thereof | 张家港市恒乐阳方高温材料有限公司 | 2022-09-09 | — | — | CN | claimed |
| CN-113463159-B | Preparation method of high-wear-resistance rose petal effect titanium alloy surface | 西安理工大学 | 2022-07-22 | — | — | CN | claimed |
| CN-113463159-A | Preparation method of high-wear-resistance rose petal effect titanium alloy surface | 西安理工大学 | 2021-10-01 | — | — | CN | claimed |
| CN-221645783-U | Spiral pile foundation based on urease bacterial reinforcement technology | 中国电建集团华东勘测设计研究院有限公司 | 2024-09-03 | — | — | CN | disclosed |
| CN-118490729-A | 5 Alpha-reductase inhibitor and application thereof in hair-growth preventing products | 扬州博研生物技术服务有限公司 | 2024-08-16 | — | — | CN | disclosed |
| CN-117084977-A | Pilocarpine hydrochloride eye drops and preparation method thereof | 广州市力鑫药业有限公司 | 2023-11-21 | — | — | CN | disclosed |
| CN-115028435-B | High-density tundish dry material and preparation method thereof | 张家港市恒乐阳方高温材料有限公司 | 2023-10-20 | — | — | CN | disclosed |
| CN-115028435-A | High-density tundish dry material and preparation method thereof | 张家港市恒乐阳方高温材料有限公司 | 2022-09-09 | — | — | CN | disclosed |
| CN-113463159-B | Preparation method of high-wear-resistance rose petal effect titanium alloy surface | 西安理工大学 | 2022-07-22 | — | — | CN | disclosed |
| CN-108434126-B | Dry powder formulations and methods for treating pulmonary diseases | 普马特里克斯营业公司 | 2021-11-19 | — | — | CN | disclosed |
| CN-113463159-A | Preparation method of high-wear-resistance rose petal effect titanium alloy surface | 西安理工大学 | 2021-10-01 | — | — | CN | disclosed |
| CN-113388388-A | Rare earth halogen silicate fluorescent powder and preparation method and application thereof | 厦门大学 | 2021-09-14 | — | — | CN | disclosed |
| US-20180284123-A1 | BARCODED RAPID ASSAY PLATFORM USEFUL FOR EFFICIENT ANALYSIS OF CANDIDATE MOLECULES AND METHODS OF MAKING AND USING THE PLATFORM | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2018-10-04 | — | — | US | disclosed |
| WO-2018183969-A1 | BARCODED RAPID ASSAY PLATFORM FOR EFFICIENT ANALYSIS OF CANDIDATE MOLECULES AND METHODS OF MAKING AND USING THE PLATFORM | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2018-10-04 | — | — | WO | disclosed |
| US-20140037574-A1 | PHARMACEUTICAL COMPOSITION | UNIVERSITY OF THE WITWATERSRAND (ZA) | 2014-02-06 | — | — | US | disclosed |
| WO-2012070030-A1 | A PHARMACEUTICAL COMPOSITION | UNIVERSITY OF THE WITWATERSRAND, JOHANNESBURG (ZA) | 2012-05-31 | — | — | WO | disclosed |