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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS known ✓ | P14324 | 1/20 | 0.42 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.34 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.34 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 4/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10680 | 0.97 | — | — | |
| Bromide SCHEMBL714157 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL31520468 | 0.94 | — | — | |
| Methylamine SCHEMBL27656294 | 0.92 | TSHR (0.42) | TSHRFDPSGAAMAPTNOS1 | |
| SCHEMBL29291881 | 0.85 | TSHR (0.39) | TSHRFDPSGAAMAPTNOS1 | |
| SCHEMBL28964162 | 0.85 | TSHR (0.39) | TSHRFDPSGAAMAPTNOS1 | |
| Ether SCHEMBL6717167 | 0.85 | TSHR (0.39) | TSHRFDPSGAAMAPTNOS1 | |
| Phosphoric Acid SCHEMBL16758488 | 0.84 | FDPS (0.58) | TSHRFDPSNOS1NOS3DAO | |
| Acrylonitrile SCHEMBL27965907 | 0.83 | TSHR (0.39) | TSHRFDPSGAAMAPTNOS1 | |
| SCHEMBL27696666 | 0.79 | TSHR (0.44) | TSHRFDPSGAAMAPTNOS1 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7833331-B2 | Non-toxic corrosion-protection pigments based on cobalt | UNIVERSITY OF DAYTON (US) | 2010-11-16 | — | — | US | disclosed |
| US-7789958-B2 | Non-toxic corrosion-protection pigments based on manganese | UNIVERSITY OF DAYTON (US) | 2010-09-07 | — | — | US | disclosed |
| US-20090163628-A1 | NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON COBALT | STURGILL JEFFREY ALLEN | 2009-06-25 | — | — | US | disclosed |
| 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-7407711-B2 | Non-toxic corrosion-protection conversion coats based on rare earth elements | UNIVERSITY OF DAYTON (US) | 2008-08-05 | — | — | US | disclosed |
| US-7294211-B2 | Non-toxic corrosion-protection conversion coats based on cobalt | UNIVERSITY OF DAYTON (US) | 2007-11-13 | — | — | US | disclosed |
| US-7291217-B2 | Non-toxic corrosion-protection pigments based on rare earth elements | UNIVERSITY OF DAYTON (US) | 2007-11-06 | — | — | US | disclosed |
| US-20070149673-A1 | NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE | STURGILL JEFFREY A | 2007-06-28 | — | — | US | disclosed |
| US-7235142-B2 | Non-toxic corrosion-protection rinses and seals based on cobalt | UNIVERSITY OF DAYTON (US) | 2007-06-26 | — | — | US | disclosed |
| EP-1472319-A1 | NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT | UNIVERSITY OF DAYTON (US) | 2004-11-03 | — | — | EP | disclosed |
| US-20040104377-A1 | Non-toxic corrosion-protection pigments based on rare earth elements | UNIVERSITY OF DAYTON | 2004-06-03 | — | — | US | disclosed |
| US-20040020568-A1 | Non-toxic corrosion-protection conversion coats based on rare earth elements | DAYTON, UNIVERSITY OF | 2004-02-05 | — | — | 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-20040011252-A1 | Non-toxic corrosion-protection pigments based on manganese | UNIVERSITY OF DAYTON | 2004-01-22 | — | — | US | disclosed |
| US-20030234063-A1 | Non-toxic corrosion-protection conversion coats based on cobalt | DAYTON, UNIVERSITY OF | 2003-12-25 | — | — | US | disclosed |
| US-20030230363-A1 | Non-toxic corrosion-protection rinses and seals based on cobalt | UNIVERSITY OF DAYTON | 2003-12-18 | — | — | US | disclosed |
| WO-2003060191-A2 | NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT | UNIVERSITY OF DAYTON (US) | 2003-07-24 | — | — | WO | disclosed |
| WO-2003060019-A1 | NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT | UNIVERSITY OF DAYTON (US) | 2003-07-24 | — | — | WO | disclosed |