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 | |
|---|---|---|---|---|
| SCHEMBL132482 | 0.95 | — | — | |
| SCHEMBL18157901 | 0.91 | CYP1A2 (0.33) | — | |
| SCHEMBL27723280 | 0.91 | — | — | |
| Bromide SCHEMBL10654763 | 0.91 | — | — | |
| Iodide SCHEMBL29008420 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL5143916 | 0.91 | — | — | |
| SCHEMBL22228579 | 0.91 | CYP1A2 (0.40) | — | |
| Iodide SCHEMBL5583242 | 0.91 | — | — | |
| SCHEMBL18301490 | 0.81 | TDP1 (0.39) | — | |
| SCHEMBL22228574 | 0.81 | TDP1 (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6060439-A | TETRAHYDROFURFURYL ALCOHOL AND TETRAMETHYLAMMONIUM HYDROXIDE; OPTICAL LENSES | KYZEN CORPORATION (US) | 2000-05-09 | — | — | US | disclosed |
| US-6017862-A | FOR CLEANING, SOLVATING AND/OR REMOVING PLASTIC RESINS AND POLYMERS FROM MANUFACTURED ARTICLES OR MANUFACTURING EQUIPMENT, SUCH AS IN THE PRODUCTION OF OPTICAL LENSES | KYZEN CORPORATION (US) | 2000-01-25 | — | — | US | disclosed |
| US-5962383-A | USING MIXTURE CONTAINING TETRAHYDROFURFURYL ALCOHOL AND TETRAMETHYLAMMONIUM HYDROXIDE AND WATER | KYZEN CORPORATION (US) | 1999-10-05 | — | — | US | disclosed |
| US-5259888-A | Process for cleaning quartz and silicon surfaces | SACHEM, INC. (US) | 1993-11-09 | — | — | US | disclosed |
| WO-1993014884-A1 | PROCESS FOR CLEANING QUARTZ AND SILICON SURFACES | SACHEM, INC. (US) | 1993-08-05 | — | — | WO | disclosed |
| US-4606999-A | Development of positive photoresists using cyclic quaternary ammonium hydroxides | THIOKOL CORPORATION (US) | 1986-08-19 | — | — | US | disclosed |
| US-4556629-A | Developer composition for positive photoresists using solution with cyclic quaternary ammonium hydroxides | MORTON THIOKOL, INC. (US) | 1985-12-03 | — | — | US | disclosed |