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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.53 |
| ▸ | HTR2A known ✓ | P28223 | 3/20 | 0.48 |
| ▸ | HRH1 known ✓ | P35367 | 3/20 | 0.48 |
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.47 |
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL366705 | 0.97 | MEN1 (0.55) | MEN1MAPTCYP2C9KMT2AKDM4E | |
| SCHEMBL774509 | 0.97 | MEN1 (0.55) | MEN1MAPTCYP2C9KMT2AKDM4E | |
| SCHEMBL735155 | 0.97 | MEN1 (0.55) | MEN1MAPTCYP2C9KMT2AKDM4E | |
| Iodide SCHEMBL27880620 | 0.95 | MEN1 (0.53) | MEN1MAPTCYP2C9KMT2AKDM4E | |
| Bromide SCHEMBL5789798 | 0.95 | MEN1 (0.53) | MEN1MAPTCYP2C9KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL27284036 | 0.95 | MEN1 (0.59) | MEN1MAPTCYP2C9KMT2AKDM4E | |
| SCHEMBL8405249 | 0.95 | MEN1 (0.53) | MEN1MAPTCYP2C9KMT2AKDM4E | |
| Bromide SCHEMBL3879339 | 0.95 | MEN1 (0.53) | MEN1MAPTCYP2C9KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL28211053 | 0.92 | MEN1 (0.57) | MEN1MAPTCYP2C9KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL28035064 | 0.92 | MEN1 (0.57) | MEN1MAPTCYP2C9KMT2AKDM4E |
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 29 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-116529248-A | Benzene ring derivative, composition and pharmaceutical application thereof | 四川海思科制药有限公司 | 2023-08-01 | — | — | CN | disclosed |
| CN-111491623-A | Compounds and their use in the treatment of cancer | 阿斯利康(瑞典)有限公司 | 2020-08-04 | — | — | CN | disclosed |
| CN-103502333-B | organic resin laminate | EXATEC, LLC (US) | 2016-05-04 | — | — | CN | disclosed |
| CN-103732337-A | Organic resin laminate, methods of making and using the same, and articles comprising the same | EXATEC LLC | 2014-04-16 | — | — | CN | disclosed |
| CN-101029126-B | Polyester catalyst for polymerization, polyester and method thereby | TOYO TEXTILE CO LTD | 2012-08-29 | — | — | CN | disclosed |
| CN-101029126-A | Polyester catalyst for polymerization, polyester and method thereby | TOYO TEXTILE CO LTD (JP) | 2007-09-05 | — | — | CN | disclosed |
| CN-1328300-C | Polyester polymerization catalyst, polyester obtained by using same, and method for producing polyester | TOYO TEXTILE CO LTD (JP) | 2007-07-25 | — | — | CN | disclosed |
| US-5001109-A | Ceramic composition | W. R. GRACE & CO.-CONN. (US) | 1991-03-19 | — | — | US | disclosed |
| EP-0387625-A2 | Ceramic composition | W.R. Grace & Co.-Conn. (US) | 1990-09-19 | — | — | EP | disclosed |
| EP-0355252-A2 | Manufacturing method for ceramics and products thereof | W.R. Grace & Co.-Conn. (US) | 1990-02-28 | — | — | EP | 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 |
| 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 |