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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.54 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.54 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.54 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.54 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.54 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.54 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.54 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.54 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.54 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.54 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.62 |
| ▸ | CNR2 | P34972 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | DRD1 | P21728 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL81248 | 0.97 | HRH3 (0.65) | HRH3CNR2KDM4ETSHRMAPK1 | |
| Hydrochloric Acid SCHEMBL890978 | 0.95 | HRH3 (0.62) | HRH3CNR2KDM4ETSHRMAPK1 | |
| Iodide SCHEMBL21693881 | 0.95 | HRH3 (0.62) | HRH3CNR2KDM4ETSHRMAPK1 | |
| Bromide SCHEMBL11663269 | 0.95 | HRH3 (0.62) | HRH3CNR2KDM4ETSHRMAPK1 | |
| Fluoride SCHEMBL11307410 | 0.95 | HRH3 (0.62) | HRH3CNR2KDM4ETSHRMAPK1 | |
| SCHEMBL8064154 | 0.93 | HRH3 (0.60) | HRH3CNR2KDM4ETSHRMAPK1 | |
| Ethylene SCHEMBL28212464 | 0.93 | HRH3 (0.60) | HRH3CNR2KDM4ETSHRMAPK1 | |
| Chloromethane SCHEMBL27279684 | 0.93 | HRH3 (0.60) | HRH3CNR2KDM4ETSHRMAPK1 | |
| SCHEMBL375111 | 0.92 | KDM4E (0.68) | HRH3CNR2KDM4ETSHRMAPK1 | |
| Hydrochloric Acid SCHEMBL11608574 | 0.90 | KDM4E (0.66) | HRH3CNR2KDM4ETSHRMAPK1 |
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-5245024-A | Cellulose chromatography support | LOYOLA UNIVERSITY OF CHICAGO (US) | 1993-09-14 | — | — | US | claimed |
| CN-111247156-B | Aromatic aminosilicone functional material for capping porous dielectrics | 默克专利股份有限公司 | 2023-10-27 | — | — | CN | disclosed |
| EP-3700912-B1 | AROMATIC AMINO SILOXANE FUNCTIONALIZED MATERIALS FOR USE IN CAPPING POROUS DIELECTRICS | MERCK PATENT GMBH (DE) | 2022-09-14 | — | — | EP | disclosed |
| US-11031237-B2 | Aromatic amino siloxane functionalized materials for use in capping porous dielectrics | MERCK PATENT GMBH (DE) | 2021-06-08 | — | — | US | disclosed |
| EP-3700912-A1 | AROMATIC AMINO SILOXANE FUNCTIONALIZED MATERIALS FOR USE IN CAPPING POROUS DIELECTRICS | Merck Patent GmbH (DE) | 2020-09-02 | — | — | EP | disclosed |
| US-20200273701-A1 | AROMATIC AMINO SILOXANE FUNCTIONALIZED MATERIALS FOR USE IN CAPPING POROUS DIELECTRICS | EMD PERFORMANCE MATERIALS CORPORATION | 2020-08-27 | — | — | US | disclosed |
| CN-111247156-A | Aromatic aminosiloxane functional material for covering porous dielectrics | 默克专利股份有限公司 | 2020-06-05 | — | — | CN | disclosed |
| EP-1824814-A2 | PREPARATION OF A QUATERNARY AMMONIUM HYDROXIDE AND USE THEREOF FOR THE PREPARATION OF Q QUATERNARY AMMONIUM SALT | Disham Pharmaceuticals and Chemicals Ltd. (IN) | 2007-08-29 | — | — | EP | disclosed |
| WO-2006062406-A2 | PREPARATION OF A QUATERNARY AMMONIUM HYDROXIDE AND USE THEREOF FOR THE PREPARATION OF Q QUATERNARY AMMONIUM SALT | DISHMAN PHARMACEUTICALS AND CHEMICALS LTD. (IN) | 2006-06-15 | — | — | WO | disclosed |
| EP-0709736-B1 | Method for producing compounds used in a positive chemically amplified resist composition | FUJI PHOTO FILM CO LTD (JP) | 1999-04-21 | — | — | EP | disclosed |
| US-5693452-A | FOR USE IN PRODUCTION OF SEMICONDUCTORS | FUJI PHOTO FILM CO., LTD. (JP) | 1997-12-02 | — | — | US | disclosed |
| EP-0709736-A1 | Positive chemically amplified resist composition and method for producing compounds used therein | FUJI PHOTO FILM CO., LTD. (JP) | 1996-05-01 | — | — | EP | 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 (2 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-11031237-B2 | Aromatic amino siloxane functionalized materials for use in capping porous dielectrics | ZYX, YBX1, CDYL | CHRM2 381/4885HTR1A 352/4885ADRA2A 2162/4885 |
| US-20200273701-A1 | AROMATIC AMINO SILOXANE FUNCTIONALIZED MATERIALS FOR USE IN CAPPING POROUS DIELECTRICS | ZYX, YBX1, CDYL | CHRM2 381/4885HTR1A 352/4885ADRA2A 2162/4885 |
“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.