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 | |
|---|---|---|---|---|
| ▸ | CRBN known ✓ | Q96SW2 | 1/20 | 0.68 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.32 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.32 |
| ▸ | JAK2 known ✓ | O60674 | 1/20 | 0.31 |
| ▸ | JAK1 known ✓ | P23458 | 1/20 | 0.31 |
| ▸ | TYK2 known ✓ | P29597 | 1/20 | 0.31 |
| ▸ | JAK3 known ✓ | P52333 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.34 |
| ▸ | IKBKB | O14920 | 1/20 | 0.34 |
| ▸ | CHUK | O15111 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 5/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | PIP4K2A | P48426 | 2/20 | 0.32 |
| ▸ | PIP4K2B | P78356 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2913931 | 0.99 | CRBN (0.69) | CRBNCYP3A4BRPF1IKBKBCHUK | |
| Methyl Alcohol SCHEMBL2913736 | 0.97 | CRBN (0.67) | CRBNCYP3A4BRPF1IKBKBCHUK | |
| Acetonitrile SCHEMBL2915375 | 0.97 | CRBN (0.64) | CRBNCYP3A4BRPF1IKBKBCHUK | |
| Alcohol SCHEMBL2909873 | 0.95 | CRBN (0.64) | CRBNCYP3A4BRPF1IKBKBCHUK | |
| Isopropyl Alcohol SCHEMBL2910113 | 0.95 | CRBN (0.64) | CRBNCYP3A4BRPF1IKBKBCHUK | |
| Propanol SCHEMBL2911013 | 0.94 | CRBN (0.62) | CRBNCYP3A4BRPF1IKBKBCHUK | |
| SCHEMBL2915248 | 0.91 | CRBN (0.58) | CRBNCYP3A4BRPF1IKBKBCHUK | |
| SCHEMBL2915298 | 0.91 | CRBN (0.56) | CRBNCYP3A4IKBKBCHUKPIP4K2A | |
| SCHEMBL2913565 | 0.91 | CRBN (0.58) | CRBNCYP3A4BRPF1IKBKBCHUK | |
| SCHEMBL2914822 | 0.91 | CRBN (0.58) | CRBNCYP3A4BRPF1IKBKBCHUK |
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 |
|---|---|---|---|---|---|---|---|
| EP-2222646-A1 | URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C | Abbott Laboratories (US) | 2010-09-01 | — | — | EP | claimed |
| EP-2203431-A1 | ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF | Abbott Laboratories (US) | 2010-07-07 | — | — | EP | claimed |
| WO-2009039127-A1 | URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C | ABBOTT LABORATORIES (US) | 2009-03-26 | — | — | WO | claimed |
| WO-2009039134-A1 | ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF | ABBOTT LABORATORIES (US) | 2009-03-26 | — | — | WO | claimed |