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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 13/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 9/20 | 0.40 |
| ▸ | PPM1A | P35813 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL146423 | 0.99 | ACHE (0.54) | ACHEHPGDBCHEPPM1A | |
| Ammonia Solution, Strong SCHEMBL28899074 | 0.98 | ACHE (0.53) | ACHEHPGDBCHEPPM1A | |
| Ammonia Solution, Strong SCHEMBL30096047 | 0.98 | ACHE (0.53) | ACHEHPGDBCHEPPM1A | |
| SCHEMBL17187153 | 0.95 | ACHE (0.53) | ACHEBCHE | |
| SCHEMBL7044948 | 0.91 | ACHE (0.50) | ACHEHPGDBCHE | |
| SCHEMBL3194487 | 0.86 | ACHE (0.54) | ACHEHPGDBCHE | |
| SCHEMBL7044946 | 0.85 | ACHE (0.44) | ACHEHPGDBCHE | |
| SCHEMBL17187040 | 0.82 | KDM4E (0.52) | ACHEBCHE | |
| Water SCHEMBL3975279 | 0.80 | BCHE (0.64) | ACHEBCHE | |
| SCHEMBL30914704 | 0.79 | ACHE (0.60) | ACHEBCHE |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9173569-B2 | Intravascular imaging device and uses thereof | ELMALEH DAVID R (US) | 2015-11-03 | — | — | US | claimed |
| US-20120020893-A1 | Intravascular Imaging Device and Uses Thereof | ELMALEH DAVID R (US) | 2012-01-26 | — | — | US | claimed |
| US-8029766-B2 | Intravascular imaging device and uses thereof | ELMALEH, DAVID R. | 2011-10-04 | — | — | US | claimed |
| US-20060041199-A1 | Intravascular imaging device and uses thereof | ELMALEH, DAVID R. | 2006-02-23 | — | — | US | claimed |
| US-11150358-B2 | Radiation dosimetry sol or gel and radiation dosimeter comprising same as material for radiation dosimetry | RIKEN (JP) | 2021-10-19 | — | — | US | disclosed |
| US-20200333474-A1 | RADIATION DOSIMETRY SOL OR GEL AND RADIATION DOSIMETER COMPRISING SAME AS MATERIAL FOR RADIATION DOSIMETRY | RIKEN (JP) | 2020-10-22 | — | — | US | disclosed |
| EP-3686632-A1 | RADIATION DOSIMETRY SOL OR GEL AND RADIATION DOSIMETER COMPRISING SAME AS MATERIAL FOR RADIATION DOSIMETRY | Riken (JP) | 2020-07-29 | — | — | EP | disclosed |
| US-20170023681-A1 | PERSONAL AND SELF INDICATING RADIATION ALERT DOSIMETER | NEW YORK UNIVERSITY | 2017-01-26 | — | — | US | disclosed |
| US-9086489-B2 | Personal and area self-indicating instant radiation alert dosimeter | JP LABORATORIES, INC (US) | 2015-07-21 | — | — | US | disclosed |
| US-8872134-B2 | Self indicating radiation alert dosimeter | JP LABORATORIES, INC (US) | 2014-10-28 | — | — | US | disclosed |
| EP-1765172-B1 | INTRAVASCULAR IMAGING DEVICE AND USES THEREOF | ELMALEH DAVID R (US) | 2013-04-24 | — | — | EP | disclosed |
| US-20120205591-A1 | SELF INDICATING RADIATION ALERT DOSIMETER | PATEL GORDHABHAI N (US) | 2012-08-16 | — | — | US | disclosed |
| US-20120181453-A1 | PERSONAL AND AREA SELF-INDICATING INSTANT RADIATION ALERT DOSIMETER | JP LABORATORIES INC. | 2012-07-19 | — | — | US | disclosed |
| US-8115182-B1 | Personal and area self-indicating radiation alert dosimeter | JP LABORATORIES INC. | 2012-02-14 | — | — | US | disclosed |
| US-7476874-B2 | Self indicating radiation alert dosimeter | JP LABORATORIES, INC. (US) | 2009-01-13 | — | — | US | disclosed |
| US-7227158-B1 | Stick-on self-indicating instant radiation dosimeter | JP LABS, INC. (US) | 2007-06-05 | — | — | US | disclosed |
| US-20060145091-A1 | Self indicating radiation alert dosimeter | JP LABORATORIES INC. | 2006-07-06 | — | — | US | disclosed |
| EP-1599744-A2 | SELF-INDICATING RADIATION ALERT DOSIMETER | JP LABORATORIES, INC. (US) | 2005-11-30 | — | — | EP | disclosed |
| WO-2004077097-A2 | SELF-INDICATING RADIATION ALERT DOSIMETER | JP LABORATORIES INC. (US) | 2004-09-10 | — | — | WO | disclosed |
| US-5790627-A | Method and apparatus for observing a specimen using an X-ray microscope | RESEARCH DEVELOPMENT CORP. (JP) | 1998-08-04 | — | — | US | disclosed |