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 | |
|---|---|---|---|---|
| ▸ | CASP6 | P55212 | 4/20 | 0.67 |
| ▸ | NSD2 | O96028 | 3/20 | 0.67 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.67 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.67 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.67 |
| ▸ | NT5E | P21589 | 4/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.43 |
| ▸ | SUMO2 | P61956 | 3/20 | 0.40 |
| ▸ | SUMO1 | P63165 | 3/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 3/20 | 0.40 |
| ▸ | SENP2 | Q9HC62 | 3/20 | 0.40 |
| ▸ | ATIC | P31939 | 1/20 | 0.40 |
| ▸ | PRMT1 | Q99873 | 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 | |
|---|---|---|---|---|
| SCHEMBL27457776 | 0.98 | CASP6 (0.69) | CASP6NSD2DUSP3PTPN5PTPN11 | |
| SCHEMBL1367724 | 0.98 | CASP6 (0.69) | CASP6NSD2DUSP3PTPN5PTPN11 | |
| SCHEMBL7534793 | 0.97 | CASP6 (0.71) | CASP6NSD2DUSP3PTPN5PTPN11 | |
| SCHEMBL156430 | 0.97 | CASP6 (0.71) | CASP6NSD2DUSP3PTPN5PTPN11 | |
| Terephthalic Acid SCHEMBL10934299 | 0.87 | CASP6 (0.58) | CASP6NSD2DUSP3PTPN5PTPN11 | |
| Water SCHEMBL28374688 | 0.87 | NT5E (0.71) | CASP6NSD2DUSP3PTPN5PTPN11 | |
| SCHEMBL8713581 | 0.87 | NT5E (0.71) | CASP6NSD2DUSP3PTPN5PTPN11 | |
| SCHEMBL8008839 | 0.87 | NT5E (0.71) | CASP6NSD2DUSP3PTPN5PTPN11 | |
| SCHEMBL8713026 | 0.85 | NT5E (0.73) | CASP6NSD2DUSP3PTPN5PTPN11 | |
| SCHEMBL8968523 | 0.85 | NT5E (0.73) | CASP6NSD2DUSP3PTPN5PTPN11 |
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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240000084-A1 | ANTIPATHOGENIC AGENT, ANTIBACTERIAL AGENT, ANTIVIRAL AGENT, PATHOGEN DISPOSAL DEVICE, ANTIPATHOGENIC AGENT PRODUCTION METHOD, ANTIBACTERIAL TREATMENT METHOD, VIRUS INACTIVATION METHOD, AND PATHOGEN DISPOSAL METHOD | ACENET INC. (JP) | 2024-01-04 | — | — | US | disclosed |
| CN-117281115-A | Free radical generating catalyst, method for producing free radical, method for producing oxidation reaction product, pharmaceutical agent, and agricultural and livestock pharmaceutical agent | 株式会社ACENET | 2023-12-26 | — | — | CN | disclosed |
| WO-2023190598-A1 | COMPOSITION | アース製薬株式会社 | 2023-10-05 | — | — | WO | disclosed |
| US-20230263710-A1 | ORAL CARE AGENT | OSAKA UNIVERSITY (JP) | 2023-08-24 | — | — | US | disclosed |
| EP-4230042-A1 | ANTIPATHOGENIC DRUG, ANTIBACTERIAL AGENT, ANTIVIRAL AGENT, PATHOGEN PROCESSING DEVICE, METHOD FOR PRODUCING ANTIPATHOGENIC DRUG, ANTIBACTERIAL METHOD, VIRUS INACTIVATION METHOD, AND PATHOGEN PROCESSING METHOD | Acenet Inc. (JP) | 2023-08-23 | — | — | EP | disclosed |
| CN-116322332-A | Antipathogenic agent, antibacterial agent, antiviral agent, pathogen treatment device, method for producing antipathogenic agent, antibacterial method, virus inactivation method, and pathogen treatment method | 株式会社ACENET | 2023-06-23 | — | — | CN | disclosed |
| US-20230181628-A1 | EPITHELIAL CANCER THERAPEUTIC AGENT | OSAKA UNIVERSITY (JP) | 2023-06-15 | — | — | US | disclosed |
| EP-4147703-A1 | EPITHELIAL CANCER THERAPEUTIC AGENT | OSAKA UNIVERSITY (JP) | 2023-03-15 | — | — | EP | disclosed |
| US-20220355283-A1 | DRUG, DRUG MANUFACTURING METHOD, AND WATER PURIFICATION METHOD | ACENET INC (JP) | 2022-11-10 | — | — | US | disclosed |
| EP-4023068-A1 | DRUG, DRUG MANUFACTURING METHOD, AND WATER PURIFICATION METHOD | Acenet Inc. (JP) | 2022-07-06 | — | — | EP | disclosed |
| US-20160248018-A1 | ARYLSULFONIC ACID COMPOUND, USE THEREOF, AND METHOD FOR PRODUCING ARYLSULFONIC ACID COMPOUND | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2016-08-25 | — | — | US | disclosed |
| EP-3056484-A1 | ARYLSULFONIC ACID COMPOUND, USE THEREOF, AND METHOD FOR PRODUCING ARYLSULFONIC ACID COMPOUND | Nissan Chemical Industries, Ltd. (JP) | 2016-08-17 | — | — | EP | disclosed |
| US-20150344950-A1 | Functionalized Cyanine Dyes (PEG) | PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) | 2015-12-03 | — | — | US | disclosed |
| US-20150197794-A1 | Phospholinked Dye Analogs with an Amino Acid Linker | PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) | 2015-07-16 | — | — | US | disclosed |
| US-9051263-B2 | Functionalized cyanine dyes (PEG) | PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) | 2015-06-09 | — | — | US | disclosed |
| US-8993737-B2 | Phospholinked dye analogs with an amino acid linker | PACIFIC BIOSCIENCES, INC. (US) | 2015-03-31 | — | — | US | disclosed |
| US-8669374-B2 | Functionalized cyanine dyes (PEG) | PACIFIC BIOSCIENCES OF CALIFORNIA, INC. | 2014-03-11 | — | — | US | disclosed |
| US-20120058469-A1 | FUNCTIONALIZED CYANINE DYES (PEG) | PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) | 2012-03-08 | — | — | US | disclosed |
| US-20120058482-A1 | FUNCTIONALIZED CYANINE DYES (PEG) | PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) | 2012-03-08 | — | — | US | disclosed |
| US-20120052507-A1 | PHOSPHOLINKED DYE ANALOGS WITH AN AMINO ACID LINKER | PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) | 2012-03-01 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20230263710-A1 | ORAL CARE AGENT | TAS2R39, TAS2R40, TAS2R45 | CASP6 4185/4885NSD2 756/4885DUSP3 4113/4885 |
| US-20120052507-A1 | PHOSPHOLINKED DYE ANALOGS WITH AN AMINO ACID LINKER | CHAMP1, MTAP, INCENP | CASP6 2142/4885NSD2 1530/4885DUSP3 1034/4885 |
| US-20160248018-A1 | ARYLSULFONIC ACID COMPOUND, USE THEREOF, AND METHOD FOR PRODUCING ARYLSULFONIC ACID COMPOUND | ARSA, SULT2A1, SULT1A1 | CASP6 2251/4885NSD2 1082/4885DUSP3 4646/4885 |
| US-20230181628-A1 | EPITHELIAL CANCER THERAPEUTIC AGENT | EPCAM, EGFR, MUC1 | CASP6 1197/4885NSD2 3469/4885DUSP3 3333/4885 |
| US-20240000084-A1 | ANTIPATHOGENIC AGENT, ANTIBACTERIAL AGENT, ANTIVIRAL AGENT, PATHOGEN DISPOSAL DEVICE, ANTIPATHOGENIC AGENT PRODUCTION METHOD, ANTIBACTERIAL TREATMENT METHOD, VIRUS INACTIVATION METHOD, AND PATHOGEN DISPOSAL METHOD | EIF2AK2, HAO2, ZC3HAV1 | CASP6 77/4885NSD2 4749/4885DUSP3 1432/4885 |
| US-20120058482-A1 | FUNCTIONALIZED CYANINE DYES (PEG) | ACR, IK, EGFR | CASP6 1910/4885NSD2 3735/4885DUSP3 4242/4885 |
| US-20150197794-A1 | Phospholinked Dye Analogs with an Amino Acid Linker | INCENP, CHAMP1, PNKP | CASP6 2060/4885NSD2 1493/4885DUSP3 915/4885 |
| US-20220355283-A1 | DRUG, DRUG MANUFACTURING METHOD, AND WATER PURIFICATION METHOD | ABCB1, CYP2D6, POR | CASP6 2060/4885NSD2 2819/4885DUSP3 3986/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.