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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.38 |
| ▸ | NOD2 known ✓ | Q9HC29 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1941958 | 0.98 | ALDH1A1 (0.54) | ALDH1A1CYP3A4MAOBTP53KDM4E | |
| Hydrochloric Acid SCHEMBL10692245 | 0.96 | ALDH1A1 (0.52) | ALDH1A1CYP3A4MAOBTP53KDM4E | |
| Methane SCHEMBL29008526 | 0.96 | ALDH1A1 (0.52) | ALDH1A1CYP3A4MAOBTP53KDM4E | |
| SCHEMBL28682350 | 0.96 | ALDH1A1 (0.52) | ALDH1A1CYP3A4MAOBTP53KDM4E | |
| SCHEMBL28675564 | 0.96 | ALDH1A1 (0.52) | ALDH1A1CYP3A4MAOBTP53KDM4E | |
| Hydrochloric Acid SCHEMBL28661391 | 0.94 | ALDH1A1 (0.50) | ALDH1A1CYP3A4MAOBTP53KDM4E | |
| Sulfuric Acid SCHEMBL30661996 | 0.89 | ALDH1A1 (0.47) | ALDH1A1CYP3A4MAOBTP53KDM4E | |
| SCHEMBL29175281 | 0.87 | ALDH1A1 (0.48) | ALDH1A1CYP3A4MAOBTP53KDM4E | |
| Sulfuric Acid SCHEMBL31134788 | 0.86 | ALDH1A1 (0.43) | ALDH1A1CYP3A4MAOBTP53KDM4E | |
| SCHEMBL30400387 | 0.83 | ALDH1A1 (0.44) | ALDH1A1CYP3A4MAOBTP53KDM4E |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-120192124-A | Non-excavation rapid asphalt repair material, and preparation method and application thereof | 四川快马路畅公路养护有限公司 | 2025-06-24 | — | — | CN | claimed |
| CN-117643634-A | Gold rod nanocomposite with bacterial targeting effect and preparation method and application thereof | 贵州医科大学 | 2024-03-05 | — | — | CN | claimed |
| CN-116916755-A | Materials and methods for extending the shelf life of food products | JP实验室公司 | 2023-10-20 | — | — | CN | claimed |
| CN-120192124-A | Non-excavation rapid asphalt repair material, and preparation method and application thereof | 四川快马路畅公路养护有限公司 | 2025-06-24 | — | — | CN | disclosed |
| CN-117643634-A | Gold rod nanocomposite with bacterial targeting effect and preparation method and application thereof | 贵州医科大学 | 2024-03-05 | — | — | CN | disclosed |
| CN-116916755-A | Materials and methods for extending the shelf life of food products | JP实验室公司 | 2023-10-20 | — | — | CN | disclosed |
| CN-101511783-A | N-biaryl (hetero) arylsulphonamide derivatives useful in the treatment of diseases mediated by lymphocytes interactions | NOVARTIS AG (CH) | 2009-08-19 | — | — | CN | disclosed |
| EP-1724268-A1 | COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | KIRIN BEER KABUSHIKI KAISHA (JP) | 2006-11-22 | — | — | EP | disclosed |