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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.45 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.45 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.45 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.45 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.34 |
| ▸ | HTR5A known ✓ | P47898 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL28447523 | 0.98 | CHRM2 (0.44) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| SCHEMBL26986006 | 0.98 | — | — | |
| SCHEMBL928477 | 0.98 | — | — | |
| SCHEMBL8079198 | 0.95 | CHRM2 (0.45) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| SCHEMBL8071010 | 0.95 | CHRM2 (0.45) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| SCHEMBL15206686 | 0.95 | CHRM2 (0.45) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| SCHEMBL4667952 | 0.84 | CHRM2 (0.44) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| SCHEMBL4767155 | 0.83 | CHRM2 (0.42) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| SCHEMBL4773015 | 0.83 | CHRM2 (0.42) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| Acrylic Acid SCHEMBL29961388 | 0.82 | CHRM2 (0.36) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 |
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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230058312-A1 | ARYL AND HETEROARYL COMPOUNDS, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF GALACTOCEREBROSIDASE | GAIN THERAPEUTICS SA (CH) | 2023-02-23 | — | — | US | disclosed |
| CN-115397806-A | Aryl and heteroaryl compounds and their therapeutic use in conditions associated with altered activity of galactocerebrosidase | 增益治疗股份有限公司 | 2022-11-25 | — | — | CN | disclosed |
| US-20220370641-A1 | SILICONE-BASED DYES WITH SHORT WAVELENGTH INFRARED ABSORPTION AND EMISSION AND METHODS FOR MAKING AND USING THE SAME | UNIV MISSISSIPPI (US) | 2022-11-24 | — | — | US | disclosed |
| CN-112047922-A | Benzophenone and benzothiophene-based luminescent material and preparation method and application thereof | 广东工业大学 | 2020-12-08 | — | — | CN | disclosed |
| US-9663488-B2 | Metalloenzyme inhibitor compounds | VIAMET PHARMACEUTICALS, INC. (US) | 2017-05-30 | — | — | US | disclosed |
| US-20150353546-A1 | METALLOENZYME INHIBITOR COMPOUNDS | Viamet Pharmaceuticals (NC), Inc. | 2015-12-10 | — | — | US | disclosed |
| US-20080161294-A1 | Urea derivative, medicinal composition containing the same, and medicinal use of these | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2008-07-03 | — | — | US | disclosed |
| EP-0924210-B1 | 2-(1-(1,3-Thiazolin-2-yl)azetidin-3-yl)thio-carbapenem derivatives | WYETH K K (JP) | 2004-08-18 | — | — | EP | disclosed |
| US-6479478-B1 | A 1-METHYLCARBAPENEM COMPOUND HAVING SUFFICIENTLY HIGH DEGREES OF BOTH ANTIBACTERIAL ACTIVITY AND RESISTANCE TO DEHYDROPEPTIDASE (DHP) IN THE LIVING BODY | WYETH LEDERLE JAPAN, LTD. (JP) | 2002-11-12 | — | — | US | disclosed |
| EP-0632039-B1 | 2-[1-(1,3-Thiazolin-2-yl)azetidin-3-yl]thio-carbapenem derivatives | WYETH LEDERLE JAPAN LTD (JP) | 2002-01-30 | — | — | EP | disclosed |
| EP-0071908-B1 | 1-, AND 1,1-DISUBSTITUTED-6-SUBSTITUTED-2-CARBAMIMIDOYL-1-CARBADETHIAPEN-2-EM-3-CARBOXYLIC ACIDS, A PROCESS FOR PREPARING AND AN ANTIBIOTIC COMPOSITION CONTAINING THE SAME | MERCK & CO. INC. (US) | 1989-09-27 | — | — | EP | disclosed |
| US-4866171-A | THIENAMYCIN ANTIBIOTIC | LEDERLE (JAPAN), LTD. (JP) | 1989-09-12 | — | — | US | disclosed |
| EP-0326640-A1 | (1R,5S,6S)-2-substituted thio-6 (R)-1-hydroxyethyl -1-methyl-carbapenem - carboxylic acid derivatives | LEDERLE (JAPAN) LTD. (JP) | 1989-08-09 | — | — | EP | disclosed |
| US-4696923-A | THIENAMYCIN ANTIBIOTICS, BACTERICIDES | MERCK & CO., INC. (US) | 1987-09-29 | — | — | US | disclosed |
| EP-0050334-B1 | 2-CARBAMIMIDOYL-6-SUBSTITUTED-1-CARBADETHIAPEN-2-EM-3-CARBOXYLIC ACIDS, A PROCESS FOR PREPARING AND AN ANTIBIOTIC COMPOSITION COMPRISING THE SAME | MERCK & CO. INC. (US) | 1987-06-10 | — | — | EP | disclosed |
| EP-0161541-A1 | 6-[1-Hydroxyethyl]-2-SR8-1-methyl-1-carba-dethiapen-2-em-3-carboxylic acids | MERCK & CO. INC. (US) | 1985-11-21 | — | — | EP | disclosed |
| EP-0160876-A1 | 1-Hetero-6-/1-Hydroxyethyl/-2-SR8-1-carbadethiapen-2-EM-3-carboxylic acids | MERCK & CO. INC. (US) | 1985-11-13 | — | — | EP | disclosed |
| EP-0071908-A1 | 1-, and 1,1-disubstituted-6-substituted-2-carbamimidoyl-1-carbadethiapen-2-em-3-carboxylic acids, a process for preparing and an antibiotic composition containing the same | MERCK & CO. INC. (US) | 1983-02-16 | — | — | EP | disclosed |
| US-4338330-A | HYPOTENSIVE AGENTS | CONTINENTAL PHARMA (BE) | 1982-07-06 | — | — | US | disclosed |
| EP-0050334-A1 | 2-Carbamimidoyl-6-substituted-1-carbadethiapen-2-em-3-carboxylic acids, a process for preparing and an antibiotic composition comprising the same | MERCK & CO. INC. (US) | 1982-04-28 | — | — | EP | 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-20150353546-A1 | METALLOENZYME INHIBITOR COMPOUNDS | MMEL1, GPX1, MPO | CHRM2 3498/4885CHRM4 2892/4885CHRM5 3390/4885 |
| US-20230058312-A1 | ARYL AND HETEROARYL COMPOUNDS, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF GALACTOCEREBROSIDASE | GBA1, GALC, MAN2B1 | CHRM2 339/4885CHRM4 1099/4885CHRM5 1400/4885 |
| US-20080161294-A1 | Urea derivative, medicinal composition containing the same, and medicinal use of these | AVPR2, UTS2R, GPR119 | CHRM2 21/4885CHRM4 195/4885CHRM5 138/4885 |
| US-20220370641-A1 | SILICONE-BASED DYES WITH SHORT WAVELENGTH INFRARED ABSORPTION AND EMISSION AND METHODS FOR MAKING AND USING THE SAME | SMARCB1, SMARCD1, SMARCA5 | CHRM2 3217/4885CHRM4 2968/4885CHRM5 2525/4885 |
“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.