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 | |
|---|---|---|---|---|
| ▸ | DUT | P33316 | 2/20 | 0.74 |
| ▸ | P2RY2 | P41231 | 15/20 | 0.67 |
| ▸ | P2RY4 | P51582 | 11/20 | 0.67 |
| ▸ | P2RY6 | Q15077 | 8/20 | 0.67 |
| ▸ | POLA1 | P09884 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL20798009 | 0.99 | DUT (0.75) | DUTP2RY2P2RY4P2RY6POLA1 | |
| SCHEMBL27554036 | 0.99 | DUT (0.75) | DUTP2RY2P2RY4P2RY6POLA1 | |
| SCHEMBL8003 | 0.99 | DUT (0.75) | DUTP2RY2P2RY4P2RY6POLA1 | |
| SCHEMBL20074354 | 0.99 | DUT (0.75) | DUTP2RY2P2RY4P2RY6POLA1 | |
| SCHEMBL48209 | 0.99 | DUT (0.75) | DUTP2RY2P2RY4P2RY6POLA1 | |
| SCHEMBL12729520 | 0.99 | DUT (0.75) | DUTP2RY2P2RY4P2RY6POLA1 | |
| SCHEMBL2349191 | 0.99 | DUT (0.75) | DUTP2RY2P2RY4P2RY6POLA1 | |
| SCHEMBL16633413 | 0.99 | DUT (0.75) | DUTP2RY2P2RY4P2RY6POLA1 | |
| Iodide SCHEMBL7941539 | 0.98 | DUT (0.74) | DUTP2RY2P2RY4P2RY6POLA1 | |
| Bromide SCHEMBL18112592 | 0.98 | DUT (0.74) | DUTP2RY2P2RY4P2RY6POLA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1699282-A4 | COMPOSITIONS AND METHODS FOR DETECTING REVERSE TRANSCIPTASE IN A SAMPLE | QUEST DIAGNOSTICS INVEST INC (US) | 2009-01-21 | — | — | EP | disclosed |
| EP-1699282-A2 | COMPOSITIONS AND METHODS FOR DETECTING REVERSE TRANSCIPTASE IN A SAMPLE | Quest Diagnostics Investments Incorporated (US) | 2006-09-13 | — | — | EP | disclosed |
| WO-2005065350-A2 | COMPOSITIONS AND METHODS FOR DETECTING REVERSE TRANSCIPTASE IN A SAMPLE | QUEST DIAGNOSTICS INVESTMENTS INCORPORATED (US) | 2005-07-21 | — | — | WO | disclosed |