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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 3/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | PNMT | P11086 | 1/20 | 0.31 |
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 SCHEMBL1973854 | 1.00 | GABRA1 (0.41) | GABRA1GABRB2MAPTALDH1A1MGLL | |
| SCHEMBL643737 | 0.98 | GABRA1 (0.43) | GABRA1GABRB2MAPTALDH1A1MGLL | |
| Benzene SCHEMBL29130110 | 0.96 | GABRA1 (0.41) | GABRA1GABRB2MAPTALDH1A1MGLL | |
| Hydrochloric Acid SCHEMBL77688 | 0.96 | GABRA1 (0.41) | GABRA1GABRB2MAPTALDH1A1MGLL | |
| Iodide SCHEMBL1502860 | 0.96 | GABRA1 (0.41) | GABRA1GABRB2MAPTALDH1A1MGLL | |
| Fluoride SCHEMBL1502835 | 0.96 | GABRA1 (0.41) | GABRA1GABRB2MAPTALDH1A1MGLL | |
| Bromide SCHEMBL637596 | 0.96 | GABRA1 (0.41) | GABRA1GABRB2MAPTALDH1A1MGLL | |
| Hydrazine SCHEMBL10865940 | 0.96 | GABRA1 (0.41) | GABRA1GABRB2MAPTALDH1A1MGLL | |
| Alcohol SCHEMBL28273112 | 0.94 | GABRA1 (0.42) | GABRA1GABRB2MAPTALDH1A1MGLL | |
| Cyanide SCHEMBL4048234 | 0.94 | GABRA1 (0.40) | GABRA1GABRB2MAPTALDH1A1MGLL |
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 1094 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119264480-A | Biomass full-component film and preparation method and application thereof | 无锡小天鹅电器有限公司 | 2025-01-07 | — | — | CN | claimed |
| CN-118480191-A | Biomass full-component solution and preparation method thereof | 无锡小天鹅电器有限公司 | 2024-08-13 | — | — | CN | claimed |
| CN-115672398-B | Catalyst and method for synthesizing hexamethylene diisocyanate trimer | 宁夏瑞泰科技股份有限公司 | 2024-03-29 | — | — | CN | claimed |
| CN-113861446-B | Cellulose solvent, cellulose dissolving method and cellulose solution | 东华理工大学 | 2023-07-14 | — | — | CN | claimed |
| CN-116041665-A | Preparation method of isocyanate curing agent with high trimer content | 南京工业大学 | 2023-05-02 | — | — | CN | claimed |
| CN-115672398-A | Catalyst and method for synthesizing hexamethylene diisocyanate trimer | 宁夏瑞泰科技股份有限公司 | 2023-02-03 | — | — | CN | claimed |
| CN-115260041-A | Novel anti-aging agent and preparation method thereof | 王兴路 | 2022-11-01 | — | — | CN | claimed |
| CN-111825103-B | Fluorine-containing high-silicon Y molecular sieve and preparation method thereof | 中国科学院大连化学物理研究所 | 2022-04-12 | — | — | CN | claimed |
| CN-111825102-B | Dry glue conversion synthesis method of high-silicon Y molecular sieve | 中国科学院大连化学物理研究所 | 2022-03-22 | — | — | CN | claimed |
| CN-113861446-A | Cellulose solvent, cellulose dissolving method and cellulose solution | 东华理工大学 | 2021-12-31 | — | — | CN | claimed |
| CN-106146344-A | The preparation method of ethylene glycol bis (propionitrile) ether | 张家港瀚康化工有限公司 | 2016-11-23 | — | — | CN | claimed |
| CN-105801883-A | Method for preparing cellulose solution | 西南交通大学 | 2016-07-27 | — | — | CN | claimed |
| CN-105670005-A | Process of preparing cellulose nanocrystalline dispersion liquid on basis of controllable dissolution | 西南交通大学 | 2016-06-15 | — | — | CN | claimed |
| CN-105368580-A | Organic chloride removing method for waste cooking oil | LUOYANG PETROCHEMICAL ENG CORP SINOPEC | 2016-03-02 | — | — | CN | claimed |
| US-5350829-A | Catalytic polymerization using magnesium, zinc, manganese compounds with nitrogen bases and germanium | FUJI PHOTO FILM CO., LTD. (JP) | 1994-09-27 | — | — | US | claimed |
| EP-0170986-A2 | A process for the preparation of copolycarbonates of sulfonyl diphenol | MOBAY CORPORATION (US) | 1986-02-12 | — | — | EP | claimed |
| US-4535143-A | QUATERNARY SALTS AND TERTIARY AMINE CATALYSTS; NONEMULSIFICATION MOLECULAR WEIGHT CONTROL, PROCESS | MOBAY CHEMICAL CORPORATION (US) | 1985-08-13 | — | — | US | claimed |
| EP-0119431-A1 | Method of preparing erythromycin A cyclic 11,12-carbonate | Tarchominskie Zaklady Farmaceutyczne "Polfa" (PL) | 1984-09-26 | — | — | EP | claimed |
| US-4012428-A | Method for preparing 3-methyl-2-(4-halogenophenyl)-butyronitrile | SUMITOMO CHEMICAL COMPANY, LIMITED (JA) | 1977-03-15 | — | — | US | claimed |
| US-4003907-A | Δ1 -1-Azacycloalkene-2-carboxylic acids and their production | BAYER AKTIENGESELLSCHAFT (DT) | 1977-01-18 | — | — | US | claimed |