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 | |
|---|---|---|---|---|
| ▸ | PPARD known ✓ | Q03181 | 7/20 | 0.48 |
| ▸ | HDAC11 known ✓ | Q96DB2 | 5/20 | 0.48 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.48 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.48 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.48 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.59 |
| ▸ | CES2 | O00748 | 4/20 | 0.52 |
| ▸ | CES1 | P23141 | 4/20 | 0.52 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.48 |
| ▸ | PPARG | P37231 | 7/20 | 0.48 |
| ▸ | PPARA | Q07869 | 7/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TLR2 | O60603 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | FABP4 | P15090 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL11118445 | 0.98 | TRPA1 (0.57) | TRPA1CES2CES1HSP90AA1GPR84 | |
| Water SCHEMBL11118449 | 0.98 | TRPA1 (0.57) | TRPA1CES2CES1HSP90AA1GPR84 | |
| SCHEMBL433931 | 0.97 | — | — | |
| SCHEMBL7065108 | 0.95 | TRPA1 (0.59) | TRPA1CES2CES1HSP90AA1GPR84 | |
| SCHEMBL6897632 | 0.95 | TRPA1 (0.59) | TRPA1CES2CES1AKR1B1HSP90AA1 | |
| SCHEMBL3885451 | 0.95 | TRPA1 (0.59) | TRPA1CES2CES1HSP90AA1GPR84 | |
| SCHEMBL11159859 | 0.95 | TRPA1 (0.59) | TRPA1CES2CES1HSP90AA1GPR84 | |
| SCHEMBL10582668 | 0.95 | TRPA1 (0.59) | TRPA1CES2CES1HSP90AA1GPR84 | |
| SCHEMBL2567832 | 0.95 | TRPA1 (0.59) | TRPA1CES2CES1HSP90AA1GPR84 | |
| SCHEMBL7717417 | 0.95 | TRPA1 (0.59) | TRPA1CES2CES1HSP90AA1GPR84 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115286629-B | Method for preparing medicine intermediate 3-anilioimidazole [1,2-a ] pyridine derivative through catalysis | 安徽工业大学 | 2023-06-23 | — | — | CN | claimed |
| CN-115286629-B | Method for preparing medicine intermediate 3-anilioimidazole [1,2-a ] pyridine derivative through catalysis | 安徽工业大学 | 2023-06-23 | — | — | CN | disclosed |
| US-20220356182-A1 | INHIBITORS OF HEPATITIS C VIRUS REPLICATION | MERCK SHARP & DOHME CORP. (US) | 2022-11-10 | — | — | US | disclosed |
| US-20220024912-A1 | COMPOUNDS FOR TREATMENT OF CANCER | Oncternal Therapeutics, Inc. (US) | 2022-01-27 | — | — | US | disclosed |
| US-11084811-B2 | Compounds for treatment of cancer | Oncternal Therapeutics, Inc. (US) | 2021-08-10 | — | — | US | disclosed |
| US-11053243-B2 | Inhibitors of hepatitis C virus replication | MERCK SHARP & DOHME CORP. (US) | 2021-07-06 | — | — | US | disclosed |
| US-20200262836-A1 | INHIBITORS OF HEPATITIS C VIRUS REPLICATION | MERCK SHARP & DOHME CORP. (US) | 2020-08-20 | — | — | US | disclosed |
| US-20190127365-A1 | INHIBITORS OF HEPATITIS C VIRUS REPLICATION | MERCK SHARP & DOHME CORP. (US) | 2019-05-02 | — | — | US | disclosed |
| US-20170226086-A1 | COMPOUNDS FOR TREATMENT OF CANCER | GTx. Inc. (US) | 2017-08-10 | — | — | US | disclosed |
| US-20170008906-A1 | INHIBITORS OF HEPATITIS C VIRUS REPLICATION | MERCK SHARP & DOHME CORP. (US) | 2017-01-12 | — | — | US | disclosed |
| WO-2010111483-A1 | INHIBITORS OF HEPATITIS C VIRUS REPLICATION | MERCK SHARP & DOHME CORP. (US) | 2010-09-30 | — | — | WO | disclosed |
| US-7572938-B2 | Precursors for ketones and aldehydes | GIVAUDAN SA (CH) | 2009-08-11 | — | — | US | disclosed |
| US-20040171516-A1 | Precursors for ketones and aldehydes | GIVAUDAN SA (CH) | 2004-09-02 | — | — | US | disclosed |
| EP-1390337-A1 | PRECURSORS FOR KETONES AND ALDEHYDES | Givaudan SA (CH) | 2004-02-25 | — | — | EP | disclosed |
| WO-2002096850-A1 | PRECURSORS FOR KETONES AND ALDEHYDES | GIVAUDAN SA (CH) | 2002-12-05 | — | — | WO | disclosed |
| EP-1262473-A1 | Precursors for fragrant ketones and fragrant aldehydes | Givaudan SA (CH) | 2002-12-04 | — | — | EP | disclosed |
| EP-0548224-B1 | PROCESS FOR PREPARING ALBUTEROL, ACETAL, HEMI-ACETAL, AND HYDRATES OF ARYLGLYOXAL INTERMEDIATES THEREOF | SCHERING CORP (US) | 1994-11-23 | — | — | EP | disclosed |
| US-5283359-A | Process for preparing albuterol, acetal, hemi-acetal, and hydrates of arylglyoxal intermediates thereof | SCHERING CORP. (US) | 1994-02-01 | — | — | US | disclosed |
| EP-0548224-A1 | PROCESS FOR PREPARING ALBUTEROL, ACETAL, HEMI-ACETAL, AND HYDRATES OF ARYLGLYOXAL INTERMEDIATES THEREOF. | SCHERING CORP (US) | 1993-06-30 | — | — | EP | disclosed |
| WO-1992004314-A2 | PROCESS FOR PREPARING ALBUTEROL, ACETAL, HEMI-ACETAL, AND HYDRATES OF ARYLGLYOXAL INTERMEDIATES THEREOF | SCHERING CORPORATION (US) | 1992-03-19 | — | — | WO | 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 (9 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-20200262836-A1 | INHIBITORS OF HEPATITIS C VIRUS REPLICATION | HAVCR2, HCCS, EIF2AK2 | PPARD 4104/4885HDAC11 1348/4885MEN1 4685/4885 |
| US-20170008906-A1 | INHIBITORS OF HEPATITIS C VIRUS REPLICATION | HAVCR2, HCCS, EIF2AK2 | PPARD 4104/4885HDAC11 1348/4885MEN1 4685/4885 |
| US-11053243-B2 | Inhibitors of hepatitis C virus replication | HAVCR2, HCCS, EIF2AK2 | PPARD 4104/4885HDAC11 1348/4885MEN1 4685/4885 |
| US-20190127365-A1 | INHIBITORS OF HEPATITIS C VIRUS REPLICATION | HAVCR2, HCCS, EIF2AK2 | PPARD 4104/4885HDAC11 1348/4885MEN1 4685/4885 |
| US-11084811-B2 | Compounds for treatment of cancer | KLK3, BRDT, ACP3 | PPARD 3209/4885HDAC11 53/4885MEN1 165/4885 |
| US-20220356182-A1 | INHIBITORS OF HEPATITIS C VIRUS REPLICATION | HAVCR2, HCCS, EIF2AK2 | PPARD 4104/4885HDAC11 1348/4885MEN1 4685/4885 |
| US-20220024912-A1 | COMPOUNDS FOR TREATMENT OF CANCER | KLK3, BRDT, ACP3 | PPARD 3209/4885HDAC11 53/4885MEN1 165/4885 |
| US-20040171516-A1 | Precursors for ketones and aldehydes | PDK3, PDK4, AKR1C4 | PPARD 710/4885HDAC11 2161/4885MEN1 3742/4885 |
| US-20170226086-A1 | COMPOUNDS FOR TREATMENT OF CANCER | KLK3, BRDT, ACP3 | PPARD 3209/4885HDAC11 53/4885MEN1 165/4885 |
“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.