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 | |
|---|---|---|---|---|
| ▸ | PIK3CA known ✓ | P42336 | 1/20 | 0.48 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.48 |
| ▸ | TSHR | P16473 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 2/20 | 0.39 |
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CD44 | P16070 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 SCHEMBL9259705 | 1.00 | CYP3A4 (0.48) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL33509 | 0.97 | CYP3A4 (0.50) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| Methyl Alcohol SCHEMBL27917657 | 0.95 | CYP3A4 (0.43) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| Bromide SCHEMBL128888 | 0.94 | CYP3A4 (0.48) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| Iodide SCHEMBL1157672 | 0.94 | CYP3A4 (0.48) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| Bromide SCHEMBL11815034 | 0.94 | CYP3A4 (0.48) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| Fluoride SCHEMBL1502751 | 0.94 | CYP3A4 (0.48) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| Hydrochloric Acid SCHEMBL553599 | 0.94 | CYP3A4 (0.48) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL15346025 | 0.94 | CYP3A4 (0.48) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| Bromide SCHEMBL1502787 | 0.94 | CYP3A4 (0.48) | CYP3A4TSHRPIK3CAALDH1A1TDP1 |
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 1727 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119574744-A | Method for rapidly determining volatile organic acid in electronic atomized liquid | 东莞市鸿馥生物科技有限公司 | 2025-03-07 | — | — | CN | claimed |
| CN-119489188-A | Preparation method of few-layer MXene coated titanium composite powder | 中国科学院过程工程研究所 | 2025-02-21 | — | — | CN | claimed |
| CN-119126507-A | Photoresist stripping liquid, preparation method and application thereof | 浙江奥首材料科技有限公司 | 2024-12-13 | — | — | CN | claimed |
| EP-4470056-A1 | NOVEL AQUEOUS-PHASE REDOX FLOW BATTERIES | Kemiwatt (FR) | 2024-12-04 | — | — | EP | claimed |
| CN-118771403-A | Modified titanium-silicon molecular sieve, titanium-silicon molecular sieve supported metal nanoparticle catalyst, preparation method and propylene gas-phase epoxidation method | 中国石油化工股份有限公司 | 2024-10-15 | — | — | CN | claimed |
| WO-2024129228-A1 | COMPOSITIONS FOR SELECTIVE REMOVAL OF TIN LAYER OVER TUNGSTEN | VERSUM MATERIALS US, LLC (US) | 2024-06-20 | — | — | WO | claimed |
| CN-117936807-A | Preparation method and application of alkaline fuel cell catalyst layer containing high water-retaining property and high ion conductivity additive | 中国科学院山西煤炭化学研究所 | 2024-04-26 | — | — | CN | claimed |
| US-20240014043-A1 | SEMICONDUCTOR DEVICES AND METHODS OF MANUFACTURING THEREOF | TAIWAN SEMICONDUCTOR MANUFACTURING CO., LTD. (TW) | 2024-01-11 | — | — | US | claimed |
| US-11854816-B2 | Semiconductor devices and methods of manufacturing thereof | TAIWAN SEMICONDUCTOR MANUFACTURING COMPANY, LTD. (TW) | 2023-12-26 | — | — | US | claimed |
| CN-114247388-B | Preparation method of zinc aluminate and magnesium aluminate aerogel with high specific surface area | 巢湖学院 | 2023-09-22 | — | — | CN | claimed |
| US-20050096450-A1 | Low temperature curable polyurethane compositions containing uretdione groups | DEGUSSA AG (DE) | 2005-05-05 | — | — | US | claimed |
| US-20050054816-A1 | Method for preparing functionalized polymers from polymer alcohols | NEKTAR THERAPEUTICS | 2005-03-10 | — | — | US | claimed |
| WO-2005010075-A2 | METHOD FOR PREPARING FUNCTIONALIZED POLYMERS FROM POLYMER ALCOHOLS | NEKTAR THERAPEUTICS AL, CORPORATION (US) | 2005-02-03 | — | — | WO | claimed |
| US-20040219367-A1 | Low-temperature-curable, solid polyurethane powder coating compositions containing uretdione groups | DEGUSSA AG (DE) | 2004-11-04 | — | — | US | claimed |
| US-20030153713-A1 | Low-temperature-curable, solid polyurethane powder coating compositions containing uretdione groups | DEGUSSA AG (DE) | 2003-08-14 | — | — | US | claimed |
| US-5059527-A | Detection of endotoxins of gram negative bacteria | WHITE DAVID C | 1991-10-22 | — | — | US | claimed |
| EP-0364895-A1 | Positive type photoresist developer | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1990-04-25 | — | — | EP | claimed |
| US-4377529-A | CHEMICAL INTERMEDIATES IN PRODUCTION OF NICKEL YLIDE CATALYSTS FOR OLIGOMERIZATION OF ETHYLENE | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1983-03-22 | — | — | US | claimed |
| EP-0052929-A1 | Sulfonated group VA ylides and process for preparing same | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1982-06-02 | — | — | EP | claimed |
| EP-0046628-A2 | Process for the preparation of nickel ylides containing directly sulfonated ylide ligands | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1982-03-03 | — | — | EP | claimed |