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 | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.41 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.41 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.31 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HMGCR | P04035 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.37 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.37 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.37 |
| ▸ | CPT2 | P23786 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | ACLY | P53396 | 3/20 | 0.33 |
| ▸ | LDHA | P00338 | 1/20 | 0.32 |
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 SCHEMBL4943812 | 1.00 | ALDH1A1 (0.41) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| Water SCHEMBL9621712 | 1.00 | ALDH1A1 (0.41) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| Water SCHEMBL1273944 | 1.00 | ALDH1A1 (0.41) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| Water SCHEMBL4367938 | 1.00 | ALDH1A1 (0.41) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| Water SCHEMBL8341016 | 1.00 | ALDH1A1 (0.41) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| Water SCHEMBL10640902 | 1.00 | ALDH1A1 (0.41) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| Water SCHEMBL7071971 | 1.00 | ALDH1A1 (0.41) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| Water SCHEMBL21632412 | 0.97 | ALDH1A1 (0.39) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| Water SCHEMBL8395691 | 0.97 | ALDH1A1 (0.39) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| Water SCHEMBL8431556 | 0.97 | ALDH1A1 (0.39) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A |
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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0186436-B1 | LIQUID CLEANSING COMPOSITION | WARNER-LAMBERT COMPANY (US) | 1992-03-18 | — | — | EP | claimed |
| US-4807649-A | WITH METAL SULFATED FATTY ALCOHOL DETERGENT, AMINO CARBOXYLATE OR PHOSPHONATE CHELATING AGENT, AND GELLING AGENT | WARNER-LAMBERT COMPANY (US) | 1989-02-28 | — | — | US | claimed |
| US-4701223-A | MIXTURE OF DETERGENT AND CHELATE COMPOUNDS | WARNER-LAMBERT COMPANY (US) | 1987-10-20 | — | — | US | claimed |
| EP-0186436-A2 | Liquid cleansing composition | WARNER-LAMBERT COMPANY (US) | 1986-07-02 | — | — | EP | claimed |
| JP-60161919-A | — | — | None | — | — | JP | disclosed |
| US-12091540-B2 | Grafted polymer bearing pendent cyclic carbonate functional groups | COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) | 2024-09-17 | — | — | US | disclosed |
| WO-2023099638-A1 | OPHTHALMIC PHARMACEUTICAL COMPOSITIONS CONTAINING A NITRIC OXIDE-RELEASING PHOSPHODIESTERASE 5 INHIBITOR AND METHOD FOR THE PREPARATION THEREOF | NICOX SA (FR) | 2023-06-08 | — | — | WO | disclosed |
| EP-3902791-B1 | NOVEL NITROGENOUS DIPOLE COMPOUNDS COMPRISING CYCLIC CARBONATE FUNCTIONS | MICHELIN & CIE (FR) | 2023-02-08 | — | — | EP | disclosed |
| CN-114716277-A | Water and fertilizer integrated nutrient solution for grapes and fertilizing method thereof | 上海交通大学 | 2022-07-08 | — | — | CN | disclosed |
| US-20220098400-A1 | GRAFTED POLYMER BEARING PENDENT CYCLIC CARBONATE FUNCTIONAL GROUPS | COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) | 2022-03-31 | — | — | US | disclosed |
| CN-113227155-A | Rubber composition based on at least one compound bearing cyclic carbonate functions | 米其林集团总公司 | 2021-08-06 | — | — | CN | disclosed |
| CN-108342351-B | Castor protoplast preparation and transformation method | 广东海洋大学 | 2020-11-13 | — | — | CN | disclosed |
| EP-0294785-B1 | MAGENTA DYE-FORMING COUPLER | FUJI PHOTO FILM CO., LTD. (JP) | 1992-11-25 | — | — | EP | disclosed |
| EP-0505153-A1 | Rubber-reinforced styrene resin composition and process for producing the same | JAPAN SYNTHETIC RUBBER CO., LTD. (JP) | 1992-09-23 | — | — | EP | disclosed |
| EP-0283938-B1 | SILVER HALIDE COLOR PHOTOGRAPHIC MATERIAL | Fuji Photo Film Co., Ltd. (JP) | 1992-08-26 | — | — | EP | disclosed |
| EP-0484909-A1 | Method of forming cyan image with cyan dye forming coupler, and silver halide color photographic material containing the cyan dye forming coupler | FUJI PHOTO FILM CO., LTD. (JP) | 1992-05-13 | — | — | EP | disclosed |
| EP-0386931-A1 | A novel cyan coupler | KONICA CORPORATION (JP) | 1990-09-12 | — | — | EP | disclosed |
| EP-0294785-A2 | Magenta dye-forming coupler | FUJI PHOTO FILM CO., LTD. (JP) | 1988-12-14 | — | — | EP | disclosed |
| EP-0283938-A1 | Silver halide color photographic material | Fuji Photo Film Co., Ltd. (JP) | 1988-09-28 | — | — | EP | disclosed |
| JP-S60161919-A | AGENT FOR DECOMPOSING LIPID PEROXIDE | SANKYO CO LTD | 1985-08-23 | — | — | JP | disclosed |