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 | 0.41 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 5/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | ALB | P02768 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | MMP2 | P08253 | 1/20 | 0.52 |
| ▸ | HNF4A | P41235 | 1/20 | 0.48 |
| ▸ | TLR2 | O60603 | 1/20 | 0.47 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.47 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.47 |
| ▸ | HMGB1 | P09429 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.43 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29357851 | 0.98 | ERN1 (0.57) | ERN1ALDH1A1KDM4EHPGDALB | |
| SCHEMBL348314 | 0.98 | ERN1 (0.57) | ERN1ALDH1A1KDM4EHPGDALB | |
| Ethylenediamine SCHEMBL29021645 | 0.89 | HMGB1 (0.56) | ERN1ALDH1A1KDM4EHPGDALB | |
| SCHEMBL28725539 | 0.82 | HMGB1 (0.45) | ERN1ALDH1A1KDM4EHPGDALB | |
| SCHEMBL8120539 | 0.82 | ERN1 (0.57) | ERN1ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL8611275 | 0.81 | ALDH1A1 (0.53) | ALDH1A1KDM4EHPGDALBHSD17B10 | |
| Water SCHEMBL10945738 | 0.81 | ERN1 (0.52) | ERN1ALDH1A1KDM4EHPGDTLR2 | |
| SCHEMBL5463687 | 0.80 | ALDH1A1 (0.52) | ALDH1A1KDM4EHPGDALBHSD17B10 | |
| SCHEMBL29953417 | 0.80 | ERN1 (0.55) | ERN1ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL29444101 | 0.80 | ALDH1A1 (0.52) | ALDH1A1KDM4EHPGDALBHSD17B10 |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12576055-B2 | Disease detection and treatment based on trimethyl-lysine levels | THE CLEVELAND CLINIC FOUNDATION (US) | 2026-03-17 | — | — | US | disclosed |
| WO-2024243289-A2 | GUT MICROBE DERIVED AROMATIC AMINO ACID METABOLITES FOR DETECTION AND TREATMENT OF DISEASE | THE CLEVELAND CLINIC FOUNDATION (US) | 2024-11-28 | — | — | WO | disclosed |
| US-20240165131-A1 | TREATING AND PREVENTING DISEASE WITH TMA AND TMAO LOWERING AGENTS | THE CLEVELAND CLINIC FOUNDATION | 2024-05-23 | — | — | US | disclosed |
| US-20240139120-A1 | TREATING DISEASE AND PROMOTING WEIGHT LOSS BY INHIBITING THE TMA/FMO3/TMAO PATHWAY | THE CLEVELAND CLINIC FOUNDATION | 2024-05-02 | — | — | US | disclosed |
| US-11911399-B2 | Treating and preventing disease with TMA and TMAO lowering agents | THE CLEVELAND CLINIC FOUNDATION (US) | 2024-02-27 | — | — | US | disclosed |
| EP-4299064-A2 | TREATING DISEASE AND PROMOTING WEIGHT LOSS BY INHIBITING THE TMA/FMO3/TMAO PATHWAY | THE CLEVELAND CLINIC FOUNDATION (US) | 2024-01-03 | — | — | EP | disclosed |
| EP-3641748-B1 | TREATING DISEASE AND PROMOTING WEIGHT LOSS BY INHIBITING THE TMA/FMO3/TMAO PATHWAY | CLEVELAND CLINIC FOUND (US) | 2023-11-29 | — | — | EP | disclosed |
| US-11771659-B2 | Treating disease and promoting weight loss by inhibiting the TMA/FMO3/TMAO pathway | THE CLEVELAND CLINIC FOUNDATION (US) | 2023-10-03 | — | — | US | disclosed |
| US-20210186991-A1 | TREATING AND PREVENTING DISEASE WITH TMA AND TMAO LOWERING AGENTS | THE CLEVELAND CLINIC FOUNDATION | 2021-06-24 | — | — | US | disclosed |
| US-10933072-B2 | Treating and preventing disease with TMA and TMAO lowering agents | THE CLEVELAND CLINIC FOUNDATION (US) | 2021-03-02 | — | — | US | disclosed |
| US-20190038642-A1 | TREATING AND PREVENTING DISEASE WITH TMA AND TMAO LOWERING AGENTS | THE CLEVELAND CLINIC FOUNDATION | 2019-02-07 | — | — | US | disclosed |
| WO-2018236899-A1 | TREATING DISEASE AND PROMOTING WEIGHT LOSS BY INHIBITING THE TMA/FMO3/TMAO PATHWAY | THE CLEVELAND CLINIC FOUNDATION (US) | 2018-12-27 | — | — | WO | disclosed |
| US-10117879-B2 | Treating and preventing disease with TMA and TMAO lowering agents | THE CLEVELAND CLINIC FOUNDATION (US) | 2018-11-06 | — | — | US | disclosed |
| US-20170266208-A1 | TREATING AND PREVENTING DISEASE WITH TMA AND TMAO LOWERING AGENTS | THE CLEVELAND CLINIC FOUNDATION | 2017-09-21 | — | — | US | disclosed |
| EP-3197442-A2 | TREATING AND PREVENTING DISEASE WITH TMA AND TMAO LOWERING AGENTS | The Cleveland Clinic Foundation (US) | 2017-08-02 | — | — | EP | disclosed |
| US-9694020-B2 | Treating and preventing disease with TMA and TMAO lowering agents | THE CLEVELAND CLINIC FOUNDATION (US) | 2017-07-04 | — | — | US | disclosed |
| US-20160089387-A1 | TREATING AND PREVENTING DISEASE WITH TMA AND TMAO LOWERING AGENTS | THE CLEVELAND CLINIC FOUNDATION | 2016-03-31 | — | — | US | disclosed |
| WO-2016049537-A1 | TREATING AND PREVENTING DISEASE WITH TMA AND TMAO LOWERING AGENTS | THE CLEVELAND CLINIC FOUNDATION (US) | 2016-03-31 | — | — | WO | disclosed |
| WO-2016049541-A2 | TREATING AND PREVENTING DISEASE WITH TMA AND TMAO LOWERING AGENTS | THE CLEVELAND CLINIC FOUNDATION (US) | 2016-03-31 | — | — | WO | disclosed |
| US-20160089386-A1 | TREATING AND PREVENTING DISEASE WITH TMA AND TMAO LOWERING AGENTS | THE CLEVELAND CLINIC FOUNDATION | 2016-03-31 | — | — | 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 (12 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-11771659-B2 | Treating disease and promoting weight loss by inhibiting the TMA/FMO3/TMAO pathway | SLC5A2, SLC5A1, MAT1A | MEN1 41/4885THRB 328/4885ERN1 4317/4885 |
| US-11911399-B2 | Treating and preventing disease with TMA and TMAO lowering agents | MAOB, DAO, ESD | MEN1 845/4885THRB 1156/4885ERN1 3511/4885 |
| US-20240139120-A1 | TREATING DISEASE AND PROMOTING WEIGHT LOSS BY INHIBITING THE TMA/FMO3/TMAO PATHWAY | SLC5A2, SLC5A1, MAT1A | MEN1 41/4885THRB 328/4885ERN1 4317/4885 |
| US-10933072-B2 | Treating and preventing disease with TMA and TMAO lowering agents | MAOB, DAO, ESD | MEN1 845/4885THRB 1156/4885ERN1 3511/4885 |
| US-20190038642-A1 | TREATING AND PREVENTING DISEASE WITH TMA AND TMAO LOWERING AGENTS | MAOB, DAO, ESD | MEN1 845/4885THRB 1156/4885ERN1 3511/4885 |
| US-20160089387-A1 | TREATING AND PREVENTING DISEASE WITH TMA AND TMAO LOWERING AGENTS | MAOB, DAO, ESD | MEN1 845/4885THRB 1156/4885ERN1 3511/4885 |
| US-12576055-B2 | Disease detection and treatment based on trimethyl-lysine levels | BHMT, BHMT2, EHMT2 | MEN1 1478/4885THRB 52/4885ERN1 2851/4885 |
| US-20170266208-A1 | TREATING AND PREVENTING DISEASE WITH TMA AND TMAO LOWERING AGENTS | MAOB, DAO, ESD | MEN1 845/4885THRB 1156/4885ERN1 3511/4885 |
| US-20160089386-A1 | TREATING AND PREVENTING DISEASE WITH TMA AND TMAO LOWERING AGENTS | MAOB, DAO, ESD | MEN1 903/4885THRB 1206/4885ERN1 3611/4885 |
| US-20210186991-A1 | TREATING AND PREVENTING DISEASE WITH TMA AND TMAO LOWERING AGENTS | MAOB, DAO, ESD | MEN1 845/4885THRB 1156/4885ERN1 3511/4885 |
| US-20240165131-A1 | TREATING AND PREVENTING DISEASE WITH TMA AND TMAO LOWERING AGENTS | MAOB, DAO, ESD | MEN1 845/4885THRB 1156/4885ERN1 3511/4885 |
| US-10117879-B2 | Treating and preventing disease with TMA and TMAO lowering agents | MAOB, DAO, ESD | MEN1 845/4885THRB 1156/4885ERN1 3511/4885 |
“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.