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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 5/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
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 SCHEMBL27858050 | 0.97 | TSHR (0.35) | TSHRLMNATDP1THRBALDH1A1 | |
| SCHEMBL131268 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL28209213 | 0.93 | — | — | |
| SCHEMBL27579624 | 0.93 | — | — | |
| SCHEMBL27840398 | 0.93 | — | — | |
| SCHEMBL27616649 | 0.93 | — | — | |
| SCHEMBL27886869 | 0.93 | — | — | |
| SCHEMBL28844352 | 0.93 | — | — | |
| SCHEMBL27818977 | 0.93 | — | — | |
| SCHEMBL28081021 | 0.93 | — | — |
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 196 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210108032-A1 | SOLVENT-FREE MELT POLYCONDENSATION PROCESS OF MAKING FURAN-BASED POLYAMIDES | DUPONT IND BIOSCIENCES USA LLC (US) | 2021-04-15 | — | — | US | claimed |
| US-20200283577-A1 | SOLVENT-FREE MELT POLYCONDENSATION PROCESS OF MAKING FURAN-BASED POLYAMIDES | DUPONT IND BIOSCIENCES USA LLC (US) | 2020-09-10 | — | — | US | claimed |
| US-20180371167-A1 | A SOLVENT-FREE MELT POLYCONDENSATION PROCESS OF MAKING FURAN-BASED POLYAMIDES | DUPONT INDUSTRIAL BIOSCIENCES USA, LLC | 2018-12-27 | — | — | US | claimed |
| EP-3390495-A1 | A SOLVENT-FREE MELT POLYCONDENSATION PROCESS OF MAKING FURAN-BASED POLYAMIDES | E. I. du Pont de Nemours and Company (US) | 2018-10-24 | — | — | EP | claimed |
| WO-2017106405-A1 | A SOLVENT-FREE MELT POLYCONDENSATION PROCESS OF MAKING FURAN-BASED POLYAMIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2017-06-22 | — | — | WO | claimed |
| EP-1871824-B1 | COMPOUNDING SILICA-REINFORCED RUBBER WITH LOW VOLATILE ORGANIC COMPOUND (VOC) EMISSION | BRIDGESTONE CORP (JP) | 2017-03-01 | — | — | EP | claimed |
| US-9403969-B2 | Compounding silica-reinforced rubber with low volatile organic compound (VOC) emission | BRIDGESTONE CORPORATION (JP) | 2016-08-02 | — | — | US | claimed |
| US-8840963-B2 | Environmentally friendly water-based epoxy resin composition and a use therefor | TAESAN ENGINEERING CO., LTD (KR) | 2014-09-23 | — | — | US | claimed |
| CN-102336942-B | Polyester/polyethylene/carbon nanotube ternary composite material and preparation method thereof | HEFEI GENIUS NEW MAT CO LTD | 2014-06-11 | — | — | CN | claimed |
| US-20140011924-A1 | COMPOUNDING SILICA-REINFORCED RUBBER WITH LOW VOLATILE ORGANIC COMPOUND (VOC) EMISSION | BRIDGESTONE CORPORATION (JP) | 2014-01-09 | — | — | US | claimed |
| WO-2006102518-A1 | COMPOUNDING SILICA-REINFORCED RUBBER WITH LOW VOLATILE ORGANIC COMPOUND (VOC) EMISSION | BRIDGESTONE CORPORATION (JP) | 2006-09-28 | — | — | WO | claimed |
| US-20060217473-A1 | Compounding silica-reinforced rubber with low volatile organic compound (VOC) emission | BRIDGESTONE CORPORATION (JP) | 2006-09-28 | — | — | US | claimed |
| US-7008899-B2 | Lanthanide-based catalyst composition for producing cis-1,4-polydienes | BRIDGESTONE CORPORATION (JP) | 2006-03-07 | — | — | US | claimed |
| US-20050228108-A1 | Glass mat laminate comprised of polymerizable cyclic polyester oligomers suitable for composites with a Class-A surface | AZDEL, INC. | 2005-10-13 | — | — | US | claimed |
| US-20050038215-A1 | Lanthanide-based catalyst composition for producing cis-1,4-polydienes | BRIDGESTONE CORPORATION (JP) | 2005-02-17 | — | — | US | claimed |
| US-20040225038-A1 | Silica-reinforced rubber compounded with an alkoxysilane and a catalytic alkyl tin compound | BRIDGESTONE CORPORATION | 2004-11-11 | — | — | US | claimed |
| EP-1406943-A1 | BLOCK COPOLYMERS FROM MACROCYCLIC OLIGOESTERS AND DIHYDROXYL-FUNCTIONALIZED POLYMERS | Cyclics Corporation (US) | 2004-04-14 | — | — | EP | claimed |
| WO-2003031496-A1 | BLOCK COPOLYMERS FROM MACROCYCLIC OLIGOESTERS AND DIHYDROXYL-FUNCTIONALIZED POLYMERS | CYCLICS CORPORATION (US) | 2003-04-17 | — | — | WO | claimed |
| US-6436549-B1 | A METHOD FOR MAKING A BLOCK COPOLYMER, THE METHOD COMPRISING THE STEP OF CONTACTING A MACROCYCLIC OLIGOESTER AND A DIHYDROXYL-FUNCTIONALIZED POLYMER AT AN ELEVATED TEMPERATURE IN THE PRESENCE OF A TRANSESTERIFICATION CATALYST | CYCLICS CORPORATION | 2002-08-20 | — | — | US | claimed |
| WO-2002038663-A1 | SILICA-REINFORCED RUBBER COMPOUNDED WITH AN ALKOXYSILANE AND A CATALYTIC ALKYL TIN COMPOUND | BRIDGESTONE CORPORATION (JP) | 2002-05-16 | — | — | WO | claimed |
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-20060217473-A1 | Compounding silica-reinforced rubber with low volatile organic compound (VOC) emission | OR51E2, RIF1, SRMS | THRB 3098/4885TSHR 3595/4885LMNA 698/4885 |
“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.