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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 4/20 | 0.65 |
| ▸ | TAAR1 | Q96RJ0 | 6/20 | 0.95 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.64 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.62 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL22863888 | 0.97 | TAAR1 (1.00) | TAAR1SIGMAR1AOC3HRH3CHRNA7 | |
| SCHEMBL168948 | 0.97 | TAAR1 (1.00) | TAAR1SIGMAR1AOC3HRH3CHRNA7 | |
| Methyl Alcohol SCHEMBL28673594 | 0.95 | TAAR1 (0.86) | TAAR1SIGMAR1AOC3HRH3CHRNA7 | |
| Bromide SCHEMBL29033194 | 0.95 | TAAR1 (0.95) | TAAR1SIGMAR1AOC3HRH3CHRNA7 | |
| Bromide SCHEMBL3881997 | 0.95 | TAAR1 (0.95) | TAAR1SIGMAR1AOC3HRH3CHRNA7 | |
| Hydrochloric Acid SCHEMBL4354648 | 0.95 | TAAR1 (0.95) | TAAR1SIGMAR1AOC3HRH3CHRNA7 | |
| Methyl Alcohol SCHEMBL9781334 | 0.93 | TAAR1 (0.91) | TAAR1SIGMAR1AOC3HRH3CHRNA7 | |
| Ethylene SCHEMBL27562091 | 0.91 | TAAR1 (0.86) | TAAR1SIGMAR1AOC3HRH3CHRNA7 | |
| Acetic Acid SCHEMBL8653585 | 0.89 | TAAR1 (0.76) | TAAR1SIGMAR1AOC3HRH3ALDH1A1 | |
| Water SCHEMBL11773331 | 0.86 | SIGMAR1 (0.80) | TAAR1SIGMAR1AOC3 |
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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5149682-A | Stirring the mixed solution, slurrying, precipitation, recovering, drying | W. R. GRACE & CO. -CONN. (US) | 1992-09-22 | — | — | US | claimed |
| US-5023067-A | Aqueous slurry consisting of homogeneous dispersion of coprecipitated metal carbonates and quaternary ammonium salts | W. R. GRACE & CO.-CONN. (US) | 1991-06-11 | — | — | US | claimed |
| CN-1040572-A | The preparation method and the goods thereof of pottery | GRACE W R & CO (US) | 1990-03-21 | — | — | CN | claimed |
| EP-0355252-A2 | Manufacturing method for ceramics and products thereof | W.R. Grace & Co.-Conn. (US) | 1990-02-28 | — | — | EP | claimed |
| EP-0306973-A2 | Manufacturing method for superconducting ceramics and products thereof | W.R. Grace & Co.-Conn. (US) | 1989-03-15 | — | — | EP | claimed |
| CN-118271284-A | Estrogen receptor modulators and uses thereof | 江苏威凯尔医药科技有限公司 | 2024-07-02 | — | — | CN | disclosed |
| CN-114434909-B | High-flame-retardance breathable protective fabric and preparation method thereof | 安徽弋尚纺织科技有限公司 | 2023-07-18 | — | — | CN | disclosed |
| CN-105237611-B | Asiatic acid amino butanetriol salt crystal form and preparation method thereof | 上海医药工业研究院 | 2018-11-13 | — | — | CN | disclosed |
| CN-104829678-B | Asiatic acid salt, preparation method and application thereof | 上海医药工业研究院 | 2017-01-11 | — | — | CN | disclosed |
| CN-102827237-B | Asiatic acid tromethamine salt crystal form and preparation method thereof | SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) | 2016-05-04 | — | — | CN | disclosed |
| CN-105237611-A | Asiatic acid tromethamine salt crystal form and preparation method thereof | SHANGHAI INST PHARM INDUSTRY | 2016-01-13 | — | — | CN | disclosed |
| CN-104829678-A | Asiatic acid salt, preparation method and application thereof | SHANGHAI INST PHARM INDUSTRY | 2015-08-12 | — | — | CN | disclosed |
| EP-0350728-A2 | Shaped mixed oxide products | W.R. Grace & Co.-Conn. (US) | 1990-01-17 | — | — | EP | disclosed |
| EP-0345663-A2 | Ceramic composition | W.R. Grace & Co.-Conn. (US) | 1989-12-13 | — | — | EP | disclosed |
| CN-1036098-A | The method of manufacturing superconductivity ceramics and constituent and the product of making by this superconductivity ceramics | GRACE W R & CO (US) | 1989-10-04 | — | — | CN | disclosed |
| US-4847194-A | Colorimetric detection of delta-5-3-ketosteroid isomerase and immunoassay based thereon | BECTON, DICKINSON AND COMPANY (US) | 1989-07-11 | — | — | US | disclosed |
| EP-0306973-A2 | Manufacturing method for superconducting ceramics and products thereof | W.R. Grace & Co.-Conn. (US) | 1989-03-15 | — | — | EP | disclosed |
| EP-0306031-A2 | Method and composition for forming superconducting ceramics and superconductive products therefrom | W.R. Grace & Co.-Conn. (US) | 1989-03-08 | — | — | EP | disclosed |
| EP-0282435-A1 | Improved method for the esterification of thiopropionates | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1988-09-14 | — | — | EP | disclosed |
| CN-87100773-A | Cycloalkanes is [1,2-b] indoles-sulfamide compound also | — | 1987-09-02 | — | — | CN | disclosed |