Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.45 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.39 |
| ▸ | HMGCR known ✓ | P04035 | 1/20 | 0.35 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ACLY | P53396 | 1/20 | 0.43 |
| ▸ | ACACB | O00763 | 1/20 | 0.42 |
| ▸ | ACACA | Q13085 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.38 |
| ▸ | SUCNR1 | Q9BXA5 | 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 | |
|---|---|---|---|---|
| SCHEMBL68460 | 0.95 | NAALAD2 (0.52) | NAALAD2ALDH1A1CYP1A2MEN1THRB | |
| Hydrochloric Acid SCHEMBL7028451 | 0.92 | NAALAD2 (0.50) | NAALAD2ALDH1A1CYP1A2MEN1THRB | |
| SCHEMBL6931571 | 0.92 | NAALAD2 (0.50) | NAALAD2ALDH1A1CYP1A2MEN1THRB | |
| SCHEMBL6740712 | 0.92 | NAALAD2 (0.50) | NAALAD2ALDH1A1CYP1A2MEN1THRB | |
| Ammonia Solution, Strong SCHEMBL8839919 | 0.92 | NAALAD2 (0.50) | NAALAD2ALDH1A1CYP1A2MEN1THRB | |
| SCHEMBL8582765 | 0.92 | NAALAD2 (0.50) | NAALAD2ALDH1A1CYP1A2MEN1THRB | |
| SCHEMBL11475196 | 0.86 | ACLY (0.50) | NAALAD2ALDH1A1CYP1A2MEN1THRB | |
| SCHEMBL28484576 | 0.84 | NAALAD2 (0.44) | NAALAD2ALDH1A1CYP1A2MEN1THRB | |
| SCHEMBL29007337 | 0.84 | FFAR1 (0.50) | NAALAD2ALDH1A1CYP1A2MEN1THRB | |
| Acetic Acid SCHEMBL8462858 | 0.82 | NAALAD2 (0.39) | NAALAD2ALDH1A1CYP1A2MEN1THRB |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210041467-A1 | METHODS FOR ASSESSING THE NEED FOR AND THE EFFECTIVENESS OF THERAPY WITH ANTIOXIDANTS | THE PROIMMUNE COMPANY, LLC | 2021-02-11 | — | — | US | disclosed |
| US-20200141956-A1 | METHODS OF ASSESSING THE NEED FOR AND THE EFFECTIVENESS OF THERAPY WITH ANTIOXIDANTS | THE PROIMMUNE COMPANY, LLC | 2020-05-07 | — | — | US | disclosed |
| US-20160341748-A1 | Methods of assessing the need for and the effectiveness of therapy with antioxidants | CRUM ALBERT B (US) | 2016-11-24 | — | — | US | disclosed |
| US-9229014-B2 | Methods of assessing the need for and the effectiveness of therapy with antioxidants | THE PROIMMUNE COMPANY, LLC | 2016-01-05 | — | — | US | disclosed |
| US-20080213905-A1 | Using concentration of lipid peroxide and pyroglutamic acid in blood as evaluative tool in determining efficacy of antioxidant therapeutic | THE PROIMMUNE COMPANY, LLC | 2008-09-04 | — | — | US | disclosed |
| US-7250304-B2 | Functional assay of high-density lipoprotein | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2007-07-31 | — | — | US | disclosed |
| EP-1650312-A2 | Functional assay of high-density lipoprotein | The Regents of the University of California (US) | 2006-04-26 | — | — | EP | disclosed |
| US-20050272162-A1 | Functional assay of high-density lipoprotein | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2005-12-08 | — | — | US | disclosed |
| EP-1272666-B1 | A FUNCTIONAL ASSAY OF HIGH-DENSITY LIPOPROTEIN | UNIV CALIFORNIA (US) | 2005-10-12 | — | — | EP | disclosed |
| WO-2005086827-A2 | METHODS OF ASSESSING THE NEED FOR AND THE EFFECTIVENESS OF THERAPY WITH ANTIOXIDANTS | CRUM ALBERT (US) | 2005-09-22 | — | — | WO | disclosed |
| US-6869568-B2 | Functional assay of high-density lipoprotein | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2005-03-22 | — | — | US | disclosed |
| EP-1272666-A4 | A FUNCTIONAL ASSAY OF HIGH-DENSITY LIPOPROTEIN | UNIV CALIFORNIA (US) | 2004-09-22 | — | — | EP | disclosed |
| US-20040057871-A1 | Functional assay of high-density lipoprotein | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2004-03-25 | — | — | US | disclosed |
| US-6596544-B1 | Diagnosing atherosclerosis in mammals; obtain tissue sample, incbae with oxidized phospholipid, monitor adjustment in oxidation of phospholipid, absence of adjustment indicates atherosclerosis | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2003-07-22 | — | — | US | disclosed |
| EP-1272666-A1 | A FUNCTIONAL ASSAY OF HIGH-DENSITY LIPOPROTEIN | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2003-01-08 | — | — | EP | disclosed |
| WO-2001075170-A1 | A FUNCTIONAL ASSAY OF HIGH-DENSITY LIPOPROTEIN | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2001-10-11 | — | — | WO | disclosed |
| US-4697006-A | Modified oligosaccharides used as substrate for measuring α-amylase activity | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 1987-09-29 | — | — | US | disclosed |
| EP-0104047-B1 | MODIFIED OLIGOSACCHARIDES USED AS SUBSTRATE FOR MEASURING ALPHA-AMYLASE ACTIVITY | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 1987-07-29 | — | — | EP | disclosed |
| US-4622295-A | QUANTITATIVE ANALYSIS | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 1986-11-11 | — | — | US | disclosed |
| US-4367285-A | Assaying lipid peroxide in lipid compositions | TOYO JOZO COMPANY, LTD. (JP) | 1983-01-04 | — | — | US | disclosed |