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 | 2/20 | 0.44 |
| ▸ | NT5E | P21589 | 3/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | CASP6 | P55212 | 3/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | SUMO2 | P61956 | 1/20 | 0.49 |
| ▸ | SUMO1 | P63165 | 1/20 | 0.49 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.49 |
| ▸ | SENP2 | Q9HC62 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.42 |
| ▸ | NSD2 | O96028 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.40 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL2730683 | 0.98 | NT5E (0.66) | NT5EALDH1A1CASP6HSD17B10CYP2C9 | |
| Water SCHEMBL29516514 | 0.98 | NT5E (0.66) | NT5EALDH1A1CASP6HSD17B10CYP2C9 | |
| SCHEMBL11426409 | 0.98 | NT5E (0.66) | NT5EALDH1A1CASP6HSD17B10CYP2C9 | |
| SCHEMBL1237049 | 0.98 | NT5E (0.66) | NT5EALDH1A1CASP6HSD17B10CYP2C9 | |
| SCHEMBL11426413 | 0.96 | NT5E (0.68) | NT5EALDH1A1CASP6HSD17B10CYP2C9 | |
| SCHEMBL29610078 | 0.96 | NT5E (0.68) | NT5EALDH1A1CASP6HSD17B10CYP2C9 | |
| SCHEMBL29429619 | 0.96 | NT5E (0.68) | NT5EALDH1A1CASP6HSD17B10CYP2C9 | |
| SCHEMBL152377 | 0.96 | NT5E (0.68) | NT5EALDH1A1CASP6HSD17B10CYP2C9 | |
| SCHEMBL2730688 | 0.96 | NT5E (0.68) | NT5EALDH1A1CASP6HSD17B10CYP2C9 | |
| SCHEMBL31229304 | 0.96 | NT5E (0.68) | NT5EALDH1A1CASP6HSD17B10CYP2C9 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118119848-A | Fluorescent cellulose particles | 旭化成株式会社 | 2024-05-31 | — | — | CN | disclosed |
| 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 |
| 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 |
| 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 |
| CN-115666593-A | Therapeutic agent for epithelial cancer | 国立大学法人大阪大学 | 2023-01-31 | — | — | CN | disclosed |
| US-20200171118-A1 | RADICAL GENERATING CATALYST, METHOD FOR PRODUCING RADICAL, METHOD FOR PRODUCING OXIDATION REACTION PRODUCT, DRUG, AND DRUG FOR USE IN AGRICULTURE AND LIVESTOCK INDUSTRY | ACENET INC. (JP) | 2020-06-04 | — | — | US | disclosed |
| EP-3626339-A1 | RADICAL-GENERATING CATALYST, RADICAL PRODUCTION METHOD, OXIDATION REACTION PRODUCT PRODUCTION METHOD, CHEMICAL AGENT, AND CHEMICAL AGENT FOR AGRICULTURE AND LIVESTOCK | Acenet Inc. (JP) | 2020-03-25 | — | — | EP | disclosed |
| CN-110769931-A | Catalyst for generating free radical, method for producing oxidation reaction product, chemical, and chemical for agricultural and livestock use | 株式会社ACENET | 2020-02-07 | — | — | CN | 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 (4 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 | MEN1 4125/4885NT5E 2660/4885ALDH1A1 2248/4885 |
| US-20200171118-A1 | RADICAL GENERATING CATALYST, METHOD FOR PRODUCING RADICAL, METHOD FOR PRODUCING OXIDATION REACTION PRODUCT, DRUG, AND DRUG FOR USE IN AGRICULTURE AND LIVESTOCK INDUSTRY | PRDX2, PRDX1, PRDX5 | MEN1 4241/4885NT5E 2399/4885ALDH1A1 1455/4885 |
| US-20230181628-A1 | EPITHELIAL CANCER THERAPEUTIC AGENT | EPCAM, EGFR, MUC1 | MEN1 3033/4885NT5E 1136/4885ALDH1A1 245/4885 |
| 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 | MEN1 4612/4885NT5E 3141/4885ALDH1A1 1641/4885 |
“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.