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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 2/20 | 0.35 |
| ▸ | ADRB1 known ✓ | P08588 | 2/20 | 0.35 |
| ▸ | ADRB3 known ✓ | P13945 | 2/20 | 0.35 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
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 SCHEMBL27904391 | 1.00 | TSHR (0.42) | TSHRTP53ALDH1A1LMNAF2 | |
| Water SCHEMBL2859442 | 1.00 | TSHR (0.42) | TSHRTP53ALDH1A1LMNAF2 | |
| Water SCHEMBL1818831 | 1.00 | TSHR (0.42) | TSHRTP53ALDH1A1LMNAF2 | |
| SCHEMBL7686 | 0.98 | TSHR (0.43) | TSHRTP53ALDH1A1LMNAF2 | |
| SCHEMBL2904556 | 0.98 | TSHR (0.43) | TSHRTP53ALDH1A1LMNAF2 | |
| SCHEMBL1483657 | 0.98 | TSHR (0.43) | TSHRTP53ALDH1A1LMNAF2 | |
| SCHEMBL221679 | 0.98 | TSHR (0.43) | TSHRTP53ALDH1A1LMNAF2 | |
| SCHEMBL223031 | 0.98 | TSHR (0.43) | TSHRTP53ALDH1A1LMNAF2 | |
| SCHEMBL27362899 | 0.98 | TSHR (0.43) | TSHRTP53ALDH1A1LMNAF2 | |
| SCHEMBL3946464 | 0.97 | TSHR (0.42) | TSHRTP53ALDH1A1LMNAF2 |
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 234 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3122708-B1 | AN IMPROVED PROCESS FOR THE PREPARATION OF EXAMETAZIME | JUBILANT GENERICS LTD (IN) | 2024-06-12 | — | — | EP | claimed |
| US-11760750-B1 | Process for preparing levoketoconazole | NURAY CHEMICALS PRIVATE LIMITED (IN) | 2023-09-19 | — | — | US | claimed |
| CN-110573495-B | Trans-isomeric heterocyclic compounds and process for preparing same | 浙江医药股份有限公司新昌制药厂 | 2023-04-11 | — | — | CN | claimed |
| CN-110573495-A | Trans-isomeric heterocyclic compounds and process for preparing same | 太景生物科技股份有限公司 | 2019-12-13 | — | — | CN | claimed |
| US-10377714-B2 | Trans-isomeric heterocyclic compounds and preparation thereof | TAIGEN BIOTECHNOLOGY CO., LTD. (TW) | 2019-08-13 | — | — | US | claimed |
| US-10252986-B2 | Process for the preparation of exametazime | Jubilant Generics Limited (IN) | 2019-04-09 | — | — | US | claimed |
| WO-2019048923-A2 | TRANS-ISOMERIC HETEROCYCLIC COMPOUNDS AND PREPARATION THEREOF | TAIGEN BIOTECHNOLOGY CO., LTD. (TW) | 2019-03-14 | — | — | WO | claimed |
| US-20190047956-A1 | TRANS-ISOMERIC HETEROCYCLIC COMPOUNDS AND PREPARATION THEREOF | TAIGEN BIOTECHNOLOGY CO., LTD. (TW) | 2019-02-14 | — | — | US | claimed |
| EP-2743263-B1 | AN IMPROVED PROCESS FOR THE PREPARATION OF LEVOMEPROMAZINE MALEATE | ZCL CHEMICALS LTD (IN) | 2018-01-03 | — | — | EP | claimed |
| WO-2017125351-A1 | PROCESS FOR PREPARING (( R)-3-[(-1-METHYLPYRROLIDIN-2-YL)METHYL]-5-(2-PHENYLSULFONYLETHYL)-1H-INDOLE | LABORATORIOS LESVI SL (ES) | 2017-07-27 | — | — | WO | claimed |
| US-20170015620-A1 | PROCESS FOR THE PREPARATION OF EXAMETAZIME | JUBILANT DRAXIMAGE INC. (CA) | 2017-01-19 | — | — | US | claimed |
| WO-2015145302-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF EXAMETAZIME | JUBILANT LIFE SCIENCES LIMITED (IN) | 2015-10-01 | — | — | WO | claimed |
| EP-2743263-A1 | An improved process for the preparation of levomepromazine maleate | ZCL Chemicals Ltd. (IN) | 2014-06-18 | — | — | EP | claimed |
| WO-2010122578-A2 | PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND ITS INTERMEDIATES | MSN LABORATORIES LIMITED (IN) | 2010-10-28 | — | — | WO | claimed |
| WO-2009084024-A2 | A PROCESS FOR THE PREPARATION OF R-SIT AGLIPTIN AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF | GLENMARK GENERICS LIMITED (IN) | 2009-07-09 | — | — | WO | claimed |
| US-20080171885-A1 | Process for Preparation of Highly Pure Trandolapril | LUPIN LIMITED (IN) | 2008-07-17 | — | — | US | claimed |
| EP-1866327-A1 | IMPROVED PROCESS FOR PREPARATION OF HIGHLY PURE TRANDOLAPRIL | Lupin Ltd. (IN) | 2007-12-19 | — | — | EP | claimed |
| CN-100345848-C | Leavo halogenated salt and its preparation process and use | SHANGHAI INST MATERIA MEDICA (CN) | 2007-10-31 | — | — | CN | claimed |
| WO-2006085332-A1 | IMPROVED PROCESS FOR PREPARATION OF HIGHLY PURE TRANDOLAPRIL | LUPIN LIMITED (IN) | 2006-08-17 | — | — | WO | claimed |
| CN-1603324-A | Leavo halogenated salt and its preparation process and use | SHANGHAI INST MATERIA MEDICA (CN) | 2005-04-06 | — | — | CN | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 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-10377714-B2 | Trans-isomeric heterocyclic compounds and preparation thereof | C1S, FURIN, C5 | ADRB2 456/4885ADRB1 312/4885ADRB3 416/4885 |
| US-20190047956-A1 | TRANS-ISOMERIC HETEROCYCLIC COMPOUNDS AND PREPARATION THEREOF | C1S, FURIN, C5 | ADRB2 456/4885ADRB1 312/4885ADRB3 416/4885 |
| US-20170015620-A1 | PROCESS FOR THE PREPARATION OF EXAMETAZIME | CUL5, SAMM50, ADRM1 | ADRB2 434/4885ADRB1 225/4885ADRB3 658/4885 |
| US-20080171885-A1 | Process for Preparation of Highly Pure Trandolapril | TPH1, HTR1A, HTR3A | ADRB2 183/4885ADRB1 124/4885ADRB3 143/4885 |
| US-10252986-B2 | Process for the preparation of exametazime | CUL5, SAMM50, ADRM1 | ADRB2 434/4885ADRB1 225/4885ADRB3 658/4885 |
| US-11760750-B1 | Process for preparing levoketoconazole | KHK, KYAT3, PLK3 | ADRB2 1631/4885ADRB1 1528/4885ADRB3 409/4885 |
“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.