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 | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 2/20 | 0.38 |
| ▸ | PKLR known ✓ | P30613 | 2/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | ENTPD1 | P49961 | 1/20 | 0.39 |
| ▸ | ENTPD2 | Q9Y5L3 | 1/20 | 0.39 |
| ▸ | DUSP5 | Q16690 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | GLB1 | P16278 | 1/20 | 0.35 |
| ▸ | CHAT | P28329 | 1/20 | 0.35 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.35 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.35 |
| ▸ | CTRC | Q99895 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29421867 | 0.98 | NR1I2 (0.43) | NR1I2ENTPD1ENTPD2THRBDUSP5 | |
| SCHEMBL1247909 | 0.98 | NR1I2 (0.43) | NR1I2ENTPD1ENTPD2THRBDUSP5 | |
| Lithium Ion SCHEMBL31214922 | 0.95 | NR1I2 (0.40) | NR1I2ENTPD1ENTPD2THRBDUSP5 | |
| SCHEMBL30108867 | 0.95 | NR1I2 (0.40) | NR1I2ENTPD1ENTPD2THRBDUSP5 | |
| SCHEMBL30108922 | 0.95 | NR1I2 (0.40) | NR1I2ENTPD1ENTPD2THRBDUSP5 | |
| SCHEMBL30108969 | 0.95 | NR1I2 (0.40) | NR1I2ENTPD1ENTPD2THRBDUSP5 | |
| Potassium Ion SCHEMBL30108900 | 0.95 | NR1I2 (0.40) | NR1I2ENTPD1ENTPD2THRBDUSP5 | |
| SCHEMBL31214953 | 0.95 | NR1I2 (0.40) | NR1I2ENTPD1ENTPD2THRBDUSP5 | |
| SCHEMBL30108861 | 0.95 | NR1I2 (0.40) | NR1I2ENTPD1ENTPD2THRBDUSP5 | |
| SCHEMBL30108888 | 0.84 | NR1I2 (0.38) | NR1I2ENTPD1ENTPD2THRBDUSP5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116406312-A | Asymmetric Nanopore Membrane (ANM) filtration for efficient virus enrichment and purification | 圣母大学 | 2023-07-07 | — | — | CN | disclosed |
| EP-4200068-A1 | ASYMMETRIC NANOPORE MEMBRANE (ANM) FILTRATION FOR HIGH-EFFICIENCY VIRUS ENRICHMENT AND PURIFICATION | University of Notre Dame du Lac (US) | 2023-06-28 | — | — | EP | disclosed |
| CN-114929386-A | Asymmetric size-based nanopore membrane (ANM) filtration for efficient exosome separation, concentration and fractionation | 圣母大学 | 2022-08-19 | — | — | CN | disclosed |
| WO-2022060691-A1 | ASYMMETRIC NANOPORE MEMBRANE (ANM) FILTRATION FOR HIGH-EFFICIENCY VIRUS ENRICHMENT AND PURIFICATION | UNIVERSITY OF NOTRE DAME DU LAC (US) | 2022-03-24 | — | — | WO | disclosed |