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 | |
|---|---|---|---|---|
| ▸ | F10 | P00742 | 6/20 | 0.44 |
| ▸ | F2 | P00734 | 4/20 | 0.44 |
| ▸ | F7 | P08709 | 2/20 | 0.44 |
| ▸ | TPSAB1 | Q15661 | 3/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.43 |
| ▸ | PLAU | P00749 | 2/20 | 0.43 |
| ▸ | PLG | P00747 | 1/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.43 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.42 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4309193 | 0.99 | F10 (0.45) | F10F2F7TPSAB1PRSS1 | |
| SCHEMBL12545642 | 0.81 | KDM4E (0.50) | F10F2F7TPSAB1PRSS1 | |
| SCHEMBL3830602 | 0.81 | F10 (0.47) | F10F2F7TPSAB1PRSS1 | |
| SCHEMBL7404851 | 0.80 | MLKL (0.45) | F10F2F7TPSAB1PRSS1 | |
| SCHEMBL3834356 | 0.78 | F10 (0.46) | F10F2F7TPSAB1PRSS1 | |
| SCHEMBL4314492 | 0.77 | F10 (0.48) | F10F2F7TPSAB1PRSS1 | |
| SCHEMBL7406132 | 0.76 | ALDH1A1 (0.46) | F10F2F7PRSS1PLAU | |
| SCHEMBL7403000 | 0.76 | F10 (0.58) | F10F2F7TPSAB1PRSS1 | |
| SCHEMBL4316759 | 0.75 | TPSAB1 (0.48) | F10F2F7TPSAB1PRSS1 | |
| SCHEMBL7406197 | 0.75 | F10 (0.49) | F10F2F7TPSAB1PRSS1 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3681504-B1 | METHODS OF DETECTION USING X-RAY FLUORESCENCE | ICAGEN INC (US) | 2023-08-23 | — | — | EP | disclosed |
| US-11573224-B2 | Methods of detection using X-ray fluorescence | ICAGEN, LLC (US) | 2023-02-07 | — | — | US | disclosed |
| US-11446398-B2 | Regulated biocircuit systems | OBSIDIAN THERAPEUTICS, INC. (US) | 2022-09-20 | — | — | US | disclosed |
| US-20210254056-A1 | IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS | CAMP4 THERAPEUTICS CORPORATION | 2021-08-19 | — | — | US | disclosed |
| US-10877035-B2 | Advanced drug development and manufacturing | ICAGEN, LLC (US) | 2020-12-29 | — | — | US | disclosed |
| US-20200278346-A1 | METHODS OF DETECTION USING X-RAY FLUORESCENCE | ADJACENT ACQUISITION CO., LLC | 2020-09-03 | — | — | US | disclosed |
| EP-3681504-A1 | METHODS OF DETECTION USING X-RAY FLUORESCENCE | Icagen, Inc. (US) | 2020-07-22 | — | — | EP | disclosed |
| US-20190192691-A1 | REGULATED BIOCIRCUIT SYSTEMS | OBSIDIAN THERAPEUTICS, INC. | 2019-06-27 | — | — | US | disclosed |
| WO-2019055754-A1 | METHODS OF DETECTION USING X-RAY FLUORESCENCE | ICAGEN, INC. (US) | 2019-03-21 | — | — | WO | disclosed |
| US-20150309021-A1 | Advanced Drug Development and Manufacturing | LOS ALAMOS NATIONAL SECURITY, LLC | 2015-10-29 | — | — | US | disclosed |
| EP-2511844-B1 | X-ray microscope | XRPRO SCIENCES INC (US) | 2015-08-12 | — | — | EP | disclosed |
| EP-2511844-A2 | Advanced drug development and manufacturing | Los Alamos National Security, LLC (US) | 2012-10-17 | — | — | EP | disclosed |
| EP-2084519-B1 | X-RAY FLUORESCENCE ANALYSIS METHOD | LOS ALAMOS NAT SECURITY LLC (US) | 2012-08-01 | — | — | EP | disclosed |
| EP-2084519-A2 | ADVANCED DRUG DEVELOPMENT AND MANUFACTURING | Los Alamos National Security, LLC (US) | 2009-08-05 | — | — | EP | disclosed |
| WO-2008127291-A2 | ADVANCED DRUG DEVELOPMENT AND MANUFACTURING | LOS ALAMOS NATIONAL SECURITY, LLC (US) | 2008-10-23 | — | — | WO | disclosed |
| US-20080220441-A1 | Advanced drug development and manufacturing | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2008-09-11 | — | — | US | disclosed |