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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE known ✓ | P12821 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.47 |
| ▸ | KIF11 | P52732 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MME | P08473 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4167158 | 0.82 | CYP2C9 (0.62) | CYP2C9PTPN5KIF11PTPN1MAPT | |
| SCHEMBL4539683 | 0.82 | CYP2C9 (0.62) | CYP2C9PTPN5KIF11PTPN1MAPT | |
| SCHEMBL1063470 | 0.82 | CYP2C9 (0.62) | CYP2C9PTPN5KIF11PTPN1MAPT | |
| SCHEMBL13893801 | 0.72 | KIF11 (0.56) | CYP2C9PTPN5KIF11PTPN1MAPT | |
| Bicarbonate SCHEMBL27490121 | 0.71 | CYP2C9 (0.57) | CYP2C9PTPN5KIF11MAPTSMN1; SMN2 | |
| Bicarbonate SCHEMBL27587346 | 0.71 | CYP2C9 (0.57) | CYP2C9PTPN5KIF11MAPTSMN1; SMN2 | |
| SCHEMBL12330424 | 0.71 | KIF11 (0.65) | CYP2C9PTPN5KIF11PTPN1BACE1 | |
| SCHEMBL17035905 | 0.71 | KIF11 (0.65) | CYP2C9PTPN5KIF11PTPN1BACE1 | |
| SCHEMBL257751 | 0.71 | SMN1; SMN2 (0.55) | CYP2C9PTPN5PTPN1MAPTSMN1; SMN2 | |
| Biphenyl SCHEMBL8365862 | 0.70 | SMN1; SMN2 (0.58) | MAPTSMN1; SMN2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1799195-B1 | GRANULES COMPRISING PARACETAMOL, AN NSAID AND A SUGAR ALCOHOL MADE BY MELT EXTRUSION | RECKITT BENCKISER HEALTHCARE (GB) | 2016-03-23 | — | — | EP | disclosed |
| US-20080085308-A1 | Granules Comprising Paracetamol, a Nsaid and a Sugar Alchohol Made by Melt Extrusion | RECKITT BENCKISER HEALTHCARE (UK) LIMITED (GB) | 2008-04-10 | — | — | US | disclosed |
| US-20070254028-A1 | Granules Comprising a Nsaid and a Sugar Alcohol Made by Melt Extrusion | RECKITT BENCKISER HEALTHCARE (UK) LIMITED (GB) | 2007-11-01 | — | — | US | disclosed |
| EP-1804772-A1 | GRANULES COMPRISING A NSAID AND A SUGAR ALCOHOL MADE BY MELT EXTRUSION | Reckitt Benckiser Healthcare (UK) Limited (GB) | 2007-07-11 | — | — | EP | disclosed |
| WO-2006016125-A1 | GRANULES COMPRISING A NSAID AND A SUGAR ALCOHOL MADE BY MELT EXTRUSION | RECKITT BENCKISER HEALTHCARE (UK) LIMITED (GB) | 2006-02-16 | — | — | WO | disclosed |