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 | |
|---|---|---|---|---|
| ▸ | FDPS known ✓ | P14324 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.58 |
| ▸ | PGK1 | P00558 | 5/20 | 0.48 |
| ▸ | PGK2 | P07205 | 5/20 | 0.48 |
| ▸ | PTPN5 | P54829 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CFTR | P13569 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL5935323 | 1.00 | PTPN1 (0.58) | PTPN1PGK1PGK2FDPSPTPN5 | |
| SCHEMBL3413596 | 0.98 | PTPN1 (0.60) | PTPN1PGK1PGK2FDPSPTPN5 | |
| SCHEMBL16253828 | 0.85 | PGK1 (0.52) | PTPN1PGK1PGK2FDPSPTPN5 | |
| SCHEMBL5897462 | 0.80 | PTPN1 (0.47) | PTPN1PGK1PGK2FDPSPTPN5 | |
| SCHEMBL5897566 | 0.80 | PTPN1 (0.47) | PTPN1PGK1PGK2FDPSPTPN5 | |
| Water SCHEMBL5163061 | 0.79 | PGK1 (0.43) | PTPN1PGK1PGK2CA2CA4 | |
| SCHEMBL13458848 | 0.78 | PTPN5 (0.67) | PTPN1PGK1PGK2PTPN5 | |
| SCHEMBL8348395 | 0.78 | PTPN1 (0.60) | PTPN1PGK1PGK2FDPSPTPN5 | |
| SCHEMBL7770515 | 0.78 | PTPN1 (0.60) | PTPN1PGK1PGK2FDPSPTPN5 | |
| Water SCHEMBL5163400 | 0.77 | FDPS (0.52) | PTPN1PGK1PGK2FDPSPTPN5 |
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 |
|---|---|---|---|---|---|---|---|
| US-8293029-B2 | Colored conversion layers on metal surfaces | HENKEL AG & CO. KGAA (DE) | 2012-10-23 | — | — | US | disclosed |
| EP-1658392-B1 | COLOUR CONVERSION LAYERS ON METAL SURFACES | HENKEL KGAA (DE) | 2007-03-14 | — | — | EP | disclosed |
| US-20060173099-A1 | Colored conversion layers on metal surfaces | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2006-08-03 | — | — | US | disclosed |