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 | |
|---|---|---|---|---|
| ▸ | ITGB2 | P05107 | 1/20 | 0.48 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.48 |
| ▸ | ITGAL | P20701 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CTNNB1 | P35222 | 7/20 | 0.44 |
| ▸ | WNT3A | P56704 | 7/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CRHBP | P24387 | 2/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CLK1 | P49759 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.41 |
| ▸ | OXTR | P30559 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
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 SCHEMBL5189676 | 0.98 | ITGB2 (0.50) | ITGB2ICAM1ITGALTSHRCTNNB1 | |
| Water SCHEMBL7527071 | 0.98 | ITGB2 (0.50) | ITGB2ICAM1ITGALTSHRCTNNB1 | |
| SCHEMBL28206254 | 0.96 | ITGB2 (0.48) | ITGB2ICAM1ITGALTSHRCTNNB1 | |
| Water SCHEMBL29063630 | 0.96 | ITGB2 (0.48) | ITGB2ICAM1ITGALTSHRCTNNB1 | |
| Water SCHEMBL9277054 | 0.96 | ITGB2 (0.48) | ITGB2ICAM1ITGALTSHRCTNNB1 | |
| Water SCHEMBL10710382 | 0.96 | ITGB2 (0.48) | ITGB2ICAM1ITGALTSHRCTNNB1 | |
| Water SCHEMBL28924788 | 0.96 | ITGB2 (0.48) | ITGB2ICAM1ITGALTSHRCTNNB1 | |
| Water SCHEMBL10710386 | 0.96 | ITGB2 (0.48) | ITGB2ICAM1ITGALTSHRCTNNB1 | |
| SCHEMBL8447 | 0.96 | ITGB2 (0.52) | ITGB2ICAM1ITGALTSHRCTNNB1 | |
| SCHEMBL29356442 | 0.96 | ITGB2 (0.52) | ITGB2ICAM1ITGALTSHRCTNNB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7422793-B2 | Non-toxic corrosion-protection rinses and seals based on rare earth elements | UNIVERSITY OF DAYTON (US) | 2008-09-09 | — | — | US | disclosed |
| US-7235142-B2 | Non-toxic corrosion-protection rinses and seals based on cobalt | UNIVERSITY OF DAYTON (US) | 2007-06-26 | — | — | US | disclosed |
| US-20040016910-A1 | Non-toxic corrosion-protection rinses and seals based on rare earth elements | DAYTON, UNIVERSITY OF | 2004-01-29 | — | — | US | disclosed |
| US-20030230363-A1 | Non-toxic corrosion-protection rinses and seals based on cobalt | UNIVERSITY OF DAYTON | 2003-12-18 | — | — | US | disclosed |
| WO-2003060192-A1 | NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT | UNIVERSITY OF DAYTON (US) | 2003-07-24 | — | — | WO | disclosed |