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 | |
|---|---|---|---|---|
| SCHEMBL959289 | 0.97 | — | — | |
| Water SCHEMBL27577056 | 0.94 | — | — | |
| SCHEMBL1065458 | 0.91 | — | — | |
| SCHEMBL959883 | 0.91 | — | — | |
| SCHEMBL6755100 | 0.89 | — | — | |
| SCHEMBL10439359 | 0.88 | — | — | |
| SCHEMBL28077628 | 0.88 | — | — | |
| Ethylene Glycol SCHEMBL28125201 | 0.87 | TSHR (0.32) | — | |
| Ether SCHEMBL19423319 | 0.87 | ALDH1A1 (0.31) | — | |
| SCHEMBL3293313 | 0.85 | ADRB2 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9790415-B1 | Modified silicon dioxide nano-particles and preparation method thereof, and drilling fluid suitable for shale gas wells | CHINA UNIVERSITY OF PETROLEUM (BEIJING) (CN) | 2017-10-17 | — | — | US | claimed |
| US-9181447-B2 | Metal protection coating, hot-dip Zn metallic material and hot-dip Al—Zn metallic material using the same | PANGANG GROUP PANZHIHUA IRON & STEEL RESEARCH INSTITUTE CO., LTD. (CN) | 2015-11-10 | — | — | US | claimed |
| US-20130078456-A1 | METAL PROTECTION COATING, HOT-DIP ZN METALLIC MATERIAL AND HOT-DIP AL-ZN METALLIC MATERIAL USING THE SAME | PANGANG GROUP PANZHIHUA IRON & STEEL RESEARCH INSTITUTE CO., LTD. (CN) | 2013-03-28 | — | — | US | claimed |
| US-9890318-B1 | Drilling fluid additive composition and water-based drilling fluid suitable for high-pressure plugging | CHINA UNIVERSITY OF PETROLEUM (BEIJING) (CN) | 2018-02-13 | — | — | US | disclosed |
| US-9834717-B1 | Drilling fluid additive composition and pseudo oil-based drilling fluid suitable for horizontal shale gas wells | CHINA UNIVERSITY OF PETROLEUM (BEIJING) (CN) | 2017-12-05 | — | — | US | disclosed |
| US-20170335163-A1 | DRILLING FLUID ADDITIVE COMPOSITION AND PSEUDO OIL-BASED DRILLING FLUID SUITABLE FOR HORIZONTAL SHALE GAS WELLS | CHINA UNIVERSITY OF PETROLEUM (BEIJING) (CN) | 2017-11-23 | — | — | US | disclosed |
| US-9790417-B1 | High-density water-based drilling fluid suitable for horizontal shale gas wells | CHINA UNIVERSITY OF PETROLEUM (BEIJING) (CN) | 2017-10-17 | — | — | US | disclosed |
| US-9790415-B1 | Modified silicon dioxide nano-particles and preparation method thereof, and drilling fluid suitable for shale gas wells | CHINA UNIVERSITY OF PETROLEUM (BEIJING) (CN) | 2017-10-17 | — | — | US | disclosed |
| US-9783725-B1 | Drilling fluid additive composition and water-based drilling fluid suitable for horizontal shale gas wells | CHINA UNIVERSITY OF PETROLEUM (BEIJING) (CN) | 2017-10-10 | — | — | US | disclosed |
| US-9783726-B1 | Environment-friendly water-based drilling fluid applicable to horizontal shale gas wells | CHINA UNIVERSITY OF PETROLEUM (BEIJING) (CN) | 2017-10-10 | — | — | US | disclosed |
| US-9181447-B2 | Metal protection coating, hot-dip Zn metallic material and hot-dip Al—Zn metallic material using the same | PANGANG GROUP PANZHIHUA IRON & STEEL RESEARCH INSTITUTE CO., LTD. (CN) | 2015-11-10 | — | — | US | disclosed |
| US-20130078456-A1 | METAL PROTECTION COATING, HOT-DIP ZN METALLIC MATERIAL AND HOT-DIP AL-ZN METALLIC MATERIAL USING THE SAME | PANGANG GROUP PANZHIHUA IRON & STEEL RESEARCH INSTITUTE CO., LTD. (CN) | 2013-03-28 | — | — | US | disclosed |