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.
Predicted protein targets (top 2)
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 SCHEMBL16732687 | 0.97 | — | — | |
| SCHEMBL12814135 | 0.97 | — | — | |
| SCHEMBL28101552 | 0.95 | — | — | |
| Water SCHEMBL16343132 | 0.86 | — | — | |
| SCHEMBL7070853 | 0.72 | — | — | |
| SCHEMBL23094106 | 0.64 | — | — | |
| SCHEMBL4116512 | 0.64 | — | — | |
| SCHEMBL28993110 | 0.61 | — | — | |
| SCHEMBL29054463 | 0.61 | — | — | |
| Water SCHEMBL29255953 | 0.61 | — | — |
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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8895736-B1 | Synthesis of substituted 2-nitromalonaldehyde intermediates toward the preparation of polyaza-adamantanes | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2014-11-25 | — | — | US | claimed |
| US-8853220-B1 | Synthesis of 2,6,9-tri-substituted-4,8-dinitro-2,6,9-triazabicyclo[3.3.1]nona-3,7-diene intermediates toward the preparation of polyaza-adamantanes | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2014-10-07 | — | — | US | claimed |
| US-7557250-B1 | Picric acid explosive compound and environmentally friendly methods for making the same | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF THE NAVY (US) | 2009-07-07 | — | — | US | claimed |
| US-7531702-B1 | Picric acid explosive compound and environmentally friendly methods for making the same | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2009-05-12 | — | — | US | claimed |
| US-7271300-B1 | Picric acid explosive compound and environmentally friendly methods for making the same | UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2007-09-18 | — | — | US | claimed |
| US-10898857-B2 | Membranes with alternative selective layers | Oasys Water LLC (US) | 2021-01-26 | — | — | US | disclosed |
| US-10384167-B2 | Systems and methods for improving performance of osmotically driven membrane systems | Oasys Water LLC (US) | 2019-08-20 | — | — | US | disclosed |
| US-20190217249-A1 | MEMBRANES WITH ALTERNATIVE SELECTIVE LAYERS | CHINA CAMC ENGINEERING HONGKONG CO., LIMITED (HK) | 2019-07-18 | — | — | US | disclosed |
| US-10301280-B2 | Compounds and methods for kinase modulation, and indications therefor | PLEXXIKON INC. (US) | 2019-05-28 | — | — | US | disclosed |
| WO-2018049013-A1 | MEMBRANES WITH ALTERNATIVE SELECTIVE LAYERS | OASYS WATER, INC. (US) | 2018-03-15 | — | — | WO | disclosed |
| US-9908819-B1 | Printing method for production a ceramic green body | WZR ceramic solutions GmbH (DE) | 2018-03-06 | — | — | US | disclosed |
| EP-2935248-B1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON INC (US) | 2018-02-28 | — | — | EP | disclosed |
| US-20060205773-A1 | Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same | EVOTEC AG (DE) | 2006-09-14 | — | — | US | disclosed |
| WO-2006093832-A2 | AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME | RENOVIS, INC. (US) | 2006-09-08 | — | — | WO | disclosed |
| US-20060194801-A1 | Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same | EVOTEC AG (DE) | 2006-08-31 | — | — | US | disclosed |
| WO-2006076569-A2 | BICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-07-20 | — | — | WO | disclosed |
| US-20060154956-A1 | Bicyclic heterocycles as cannabinoid receptor modulators | BRISTOL-MYERS SQUIBB COMPANY | 2006-07-13 | — | — | US | disclosed |
| US-6960696-B1 | 2,4-dinitrophenol and environmentally friendly methods for making the same | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2005-11-01 | — | — | US | disclosed |
| US-6881871-B1 | Trinitrotoluene (TNT) and environmentally friendly methods for making the same | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2005-04-19 | — | — | US | disclosed |
| US-5442065-A | Antitumor agents | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1995-08-15 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060205773-A1 | Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same | TRPV1, TRPA1, TRPV2 | ALDH1A1 1821/4885TDP1 4280/4885 |
| US-20060194801-A1 | Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same | TRPV1, TRPA1, TRPV2 | ALDH1A1 1821/4885TDP1 4280/4885 |
| US-10301280-B2 | Compounds and methods for kinase modulation, and indications therefor | KIT, PRKCH, PRKACA | ALDH1A1 2054/4885TDP1 1168/4885 |
| US-20060154956-A1 | Bicyclic heterocycles as cannabinoid receptor modulators | CNR1, CNR2, CCKBR | ALDH1A1 2815/4885TDP1 4336/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.