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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.95 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
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 SCHEMBL28281397 | 1.00 | — | — | |
| SCHEMBL8064669 | 0.98 | — | — | |
| SCHEMBL15162 | 0.98 | — | — | |
| SCHEMBL27672259 | 0.95 | ALDH1A1 (0.95) | ALDH1A1TSHRMAPK1SMN1; SMN2TDP1 | |
| SCHEMBL10425203 | 0.95 | — | — | |
| Fluoride SCHEMBL8522213 | 0.95 | — | — | |
| SCHEMBL28196537 | 0.95 | — | — | |
| Methane SCHEMBL6049887 | 0.95 | — | — | |
| Ethylene SCHEMBL28860341 | 0.95 | ALDH1A1 (0.95) | ALDH1A1TSHRMAPK1SMN1; SMN2TDP1 | |
| SCHEMBL9364657 | 0.95 | — | — |
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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2831178-B1 | LOW VISCOSITY POLYORGANOSILOXANES COMPRISING QUATERNARY AMMONIUM GROUPS, METHODS FOR THE PRODUCTION AND THE USE THEREOF (ll) | MOMENTIVE PERFORMANCE MAT GMBH (DE) | 2020-07-22 | — | — | EP | disclosed |
| EP-3199592-B1 | LOW VISCOSITY POLYORGANOSILOXANES COMPRISING QUATERNARY AMMONIUM GROUPS, METHODS FOR THE PRODUCTION AND THE USE THEREOF | MOMENTIVE PERFORMANCE MAT GMBH (DE) | 2020-02-26 | — | — | EP | disclosed |
| EP-3357973-A1 | LOW VISCOSITY POLYORGANOSILOXANES COMPRISING QUATERNARY AMMONIUM GROUPS, METHODS FOR THE PRODUCTION AND THE USE THEREOF (II) | Momentive Performance Materials GmbH (DE) | 2018-08-08 | — | — | EP | disclosed |
| EP-2831177-B1 | LOW VISCOSITY POLYORGANOSILOXANES COMPRISING QUATERNARY AMMONIUM GROUPS, METHODS FOR THE PRODUCTION AND THE USE THEREOF (II) | MOMENTIVE PERFORMANCE MAT GMBH (DE) | 2018-05-09 | — | — | EP | disclosed |
| CN-107312062-A | Stimulating responsive polymer for purifying biological molecule | EMD密理博公司 | 2017-11-03 | — | — | CN | disclosed |
| EP-3199592-A1 | LOW VISCOSITY POLYORGANOSILOXANES COMPRISING QUATERNARY AMMONIUM GROUPS, METHODS FOR THE PRODUCTION AND THE USE THEREOF | Momentive Performance Materials GmbH (DE) | 2017-08-02 | — | — | EP | disclosed |
| CN-102892791-B | Stimulus responsive polymers for purification of biomolecules | EMD密理博公司 | 2017-05-17 | — | — | CN | disclosed |
| EP-2831176-B1 | LOW VISCOSITY POLYORGANOSILOXANES COMPRISING QUATERNARY AMMONIUM GROUPS, METHODS FOR THE PRODUCTION AND THE USE THEREOF | MOMENTIVE PERFORMANCE MAT GMBH (DE) | 2017-05-03 | — | — | EP | disclosed |
| US-9512275-B2 | Low viscosity polyorganosiloxanes comprising quaternary ammonium groups, methods for the production and the use thereof (II) | MOMENTIVE PERFORMANCE MATERIALS INC. (US) | 2016-12-06 | — | — | US | disclosed |
| US-9428616-B2 | Low viscosity polyorganosiloxanes comprising quaternary ammonium groups, methods for the production and the use thereof | MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) | 2016-08-30 | — | — | US | disclosed |
| CN-102892791-A | Stimulus responsive polymers for purification of biomolecules | MILLIPORE CORP | 2013-01-23 | — | — | CN | disclosed |
| WO-2011160857-A2 | DEVICE AND METHOD FOR SOLUBILIZING, SEPARATING, REMOVING AND REACTING CARBOXYLIC ACIDS IN OILS, FATS, AQUEOUS OR ORGANIC SOLUTIONS BY MEANS OF MICRO- OR NANOEMULSIFICATION | DIETZ ULRICH (DE) | 2011-12-29 | — | — | WO | disclosed |
| EP-2399885-A1 | Device and method for solubilizing, separating, removing and reacting carboxylic acids in aqueous or organic solutions by means of micro- or nanoemulsification | Dietz, Ulrich (DE) | 2011-12-28 | — | — | EP | disclosed |
| CN-102159650-A | Conductive polymer solution, conductive coating film and input device | SHINETSU POLYMER CO | 2011-08-17 | — | — | CN | disclosed |
| US-20110039948-A1 | Novel Polycarbonate-Polyorganosiloxane- And/Or Polyurethane-Polyorganosiloxane Compounds | MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) | 2011-02-17 | — | — | US | disclosed |
| US-7217777-B2 | Polymmonium-polysiloxane compounds, methods for the production and use thereof | GE BAYER SILICONES GMBH & CO. KG (DE) | 2007-05-15 | — | — | US | disclosed |
| US-20040048996-A1 | Polymmonium-polysiloxane compounds, methods for the production and use thereof | MOMENTIVE PERFORMANCE MATERIALS INC. | 2004-03-11 | — | — | US | disclosed |
| US-4604476-A | Odor-stabilized mercaptoalkyl alkoxysilanes and a method for their preparation | DYNAMIT NOBEL AG (DE) | 1986-08-05 | — | — | US | disclosed |
| US-4048374-A | Functional organophosphonic acid esters as preservative adhesion promoting agents and coating for metals | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DT) | 1977-09-13 | — | — | US | disclosed |
| US-4029679-A | PROTECTIVE METAL COATING | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DT) | 1977-06-14 | — | — | 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 (1 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-20110039948-A1 | Novel Polycarbonate-Polyorganosiloxane- And/Or Polyurethane-Polyorganosiloxane Compounds | PUF60, ERCC4, XRCC5 | ALDH1A1 1566/4885TSHR 4751/4885MAPK1 4479/4885 |
“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.