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.
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL28108339 | 0.97 | CA2 (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL3994815 | 0.97 | CA2 (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL8518135 | 0.97 | CA2 (0.33) | — | |
| SCHEMBL29655 | 0.97 | — | — | |
| SCHEMBL15349414 | 0.97 | CA2 (0.36) | — | |
| SCHEMBL28900865 | 0.97 | CA2 (0.36) | — | |
| Hydrogen Sulfide SCHEMBL11041930 | 0.95 | — | — | |
| SCHEMBL2537776 | 0.95 | — | — | |
| SCHEMBL2548470 | 0.95 | — | — | |
| Rubidium SCHEMBL2548472 | 0.95 | — | — |
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 481 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117701108-B | Antistatic powder coating and preparation method and application thereof | 云南领克新型材料有限公司 | 2024-05-14 | — | — | CN | claimed |
| CN-117701108-A | Antistatic powder coating and preparation method and application thereof | 云南领克新型材料有限公司 | 2024-03-15 | — | — | CN | claimed |
| CN-114687212-B | High-temperature-resistant wear-resistant spinning oil and preparation method thereof | 浙江传化化学品有限公司 | 2024-02-09 | — | — | CN | claimed |
| CN-115430349-B | Preparation method of low-temperature scouring and dyeing one-bath agent | 绵阳佳利德纺织科技有限公司 | 2024-01-26 | — | — | CN | claimed |
| CN-117344535-A | Crude oil oiling type FDY spinning oil agent and application thereof | 浙江传化化学品有限公司 | 2024-01-05 | — | — | CN | claimed |
| CN-117323264-A | Petal bath cream capable of preserving petals and preparation method thereof | 广东嘉丹婷日用品有限公司 | 2024-01-02 | — | — | CN | claimed |
| CN-117305032-A | Environment-friendly laundry stock solution and preparation method and application thereof | 广州市君鑫化工科技有限公司 | 2023-12-29 | — | — | CN | claimed |
| CN-114259436-B | Double-layer cleaning composition and preparation method thereof | 澳宝化妆品（惠州）有限公司 | 2023-11-17 | — | — | CN | claimed |
| CN-113227276-B | Aqueous-based dispersions for preparing coatings with enhanced MVTR barrier properties | 汉高股份有限及两合公司 | 2023-06-13 | — | — | CN | claimed |
| CN-116200938-A | FDY-WINGS spinning oil capable of fast wetting and penetrating, preparation method and application thereof | 浙江传化化学品有限公司 | 2023-06-02 | — | — | CN | claimed |
| US-5833764-A | HYPOCHLORITE, QUATERNARY AMMONIUM COMPOUND, ORGANIC COUNTERION, FREE AMINE | RADER JAMES E (US) | 1998-11-10 | — | — | US | claimed |
| US-5542545-A | FROTH FLOTATION WITH A MIXTURE OF ANIONIC SURFACTANTS | Yu, Ying Xue (US) | 1996-08-06 | — | — | US | claimed |
| US-5210320-A | Reacting dimethylhexanediol with hydrogen peroxide and sulfuric acid and alcohol | PHILLIPS PETROLEUM COMPANY (US) | 1993-05-11 | — | — | US | claimed |
| US-5158692-A | Unsaturated carboxylic ester sulfonate compound and sulfate compound | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1992-10-27 | — | — | US | claimed |
| US-4885064-A | SOLUBLE TIN, LEAD OR ALLOY SALT AND APHA-ACETYLINIC ALCOHOL OR GLYCOL; SMOOTH, LEVEL, MATTE OR BRIGHT | MCGEAN-ROHCO, INC. (US) | 1989-12-05 | — | — | US | claimed |
| CN-1030872-A | BLEACHING DISINFECTANT | GUANGZHOU OIL CHEMICAL PLANT (CN) | 1989-02-08 | — | — | CN | claimed |
| EP-0020706-A1 | WATER SOLUBLE LECITHIN COMPOSITION | AMERICAN LECITHIN COMPANY (US) | 1981-01-07 | — | — | EP | claimed |
| WO-1980001144-A1 | WATER SOLUBLE LECITHIN COMPOSITION | AMERICAN LECITHIN CO (US) | 1980-06-12 | — | — | WO | claimed |
| US-4174296-A | Water soluble lecithin composition | AMERICAN LECITHIN COMPANY (US) | 1979-11-13 | — | — | US | claimed |
| US-4127383-A | LIGNOSULFONATE | GRAHAM-WHITE SALES CORPORATION (US) | 1978-11-28 | — | — | US | claimed |