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.
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 | |
|---|---|---|---|---|
| SCHEMBL1832 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL4002211 | 0.92 | — | — | |
| SCHEMBL1720227 | 0.88 | — | — | |
| SCHEMBL28728420 | 0.86 | MAPT (0.39) | — | |
| Trolamine SCHEMBL8213273 | 0.85 | MAPT (0.42) | — | |
| Trolamine SCHEMBL11132413 | 0.84 | MAPT (0.44) | — | |
| Trolamine SCHEMBL392210 | 0.84 | MAPT (0.44) | — | |
| Trolamine SCHEMBL5051612 | 0.80 | TSHR (0.42) | — | |
| Trolamine SCHEMBL11071448 | 0.80 | MAPT (0.41) | — | |
| Trolamine SCHEMBL6711907 | 0.80 | MAPT (0.41) | — |
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 97 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12629382-B2 | Therapy | VESTLANDETS INNOVASJONSSELSKAP AS (NO) | 2026-05-19 | — | — | US | disclosed |
| EP-4734985-A1 | PREVENTION, INHIBITION OR TREATMENT OF CONDITIONS OR DISORDERS MEDIATED BY UROCANATE REDUCTASE | IMPLEXION PHARMA AB (SE) | 2026-05-06 | — | — | EP | disclosed |
| US-12616193-B2 | 5-(1H-indol-3-yl)-oxazole, -oxadiazole and -furan derivatives as enhancers of sperm motility | SPERMATECH AS (NO) | 2026-05-05 | — | — | US | disclosed |
| US-12503476-B2 | Ring-fused 2-pyridone compounds, methods for preparation thereof and their use in the treatment and/or prevention of a disease involving gram-positive bacteria | QURETECH BIO AB (SE) | 2025-12-23 | — | — | US | disclosed |
| US-12472168-B2 | Ring-fused thiazolino 2-pyridones, methods for preparation thereof and their use in the treatment and/or prevention of a disease involving gram-positive bacteria | QURETECH BIO AB (SE) | 2025-11-18 | — | — | US | disclosed |
| US-20250066367-A1 | Pyrimidine-Annulated Triazole Derivatives and Their Use in Platelet Aggregation Inhibition | BEIJING HONGHUI MEDITECH CO., LTD (CN) | 2025-02-27 | — | — | US | disclosed |
| EP-4146659-B1 | RING-FUSED 2-PYRIDONE COMPOUNDS, METHODS FOR PREPARATION THEREOF AND THEIR USE IN THE TREATMENT AND/OR PREVENTION OF A DISEASE INVOLVING GRAM-POSITIVE BACTERIA | QURETECH BIO AB (SE) | 2025-02-26 | — | — | EP | disclosed |
| US-12221459-B2 | Cancer treatment with (2,2-bishydroxymethyl) methylenecyclopropane nucleotides | MEDIVIR AB (SE) | 2025-02-11 | — | — | US | disclosed |
| WO-2025003469-A1 | PREVENTION, INHIBITION OR TREATMENT OF CONDITIONS OR DISORDERS MEDIATED BY UROCANATE REDUCTASE | IMPLEXION PHARMA AB (SE) | 2025-01-02 | — | — | WO | disclosed |
| CN-113975274-B | Cyclic fused thiazoline 2-pyridones, method for the production thereof and use thereof for the treatment and/or prophylaxis of tuberculosis | 快尔生物技术公司 | 2024-04-09 | — | — | CN | disclosed |
| US-20080255122-A1 | Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators | ASTRAZENECA AB (SE) | 2008-10-16 | — | — | US | disclosed |
| WO-2008108735-A1 | 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE | ALBIREO AB (SE) | 2008-09-12 | — | — | WO | disclosed |
| US-20080139616-A1 | Atherosclerosis; inflammatory diseases, Alzheimer's disease, dyslipidemia, metabolic syndrome; 2-isopropyl-5-phenyl-4-[(4-phenylbutyl)amino]isothiazole-3(2H)-thione 1,1-dioxide for example | ASTRAZENECA AB (SE) | 2008-06-12 | — | — | US | disclosed |
| US-20080125396-A1 | Derivatives of Isothiazol-3(2H)-Thione 1,1-Dioxides as Liver X Receptor Modulators | ATRAZENECA AB (SE) | 2008-05-29 | — | — | US | disclosed |
| EP-1838685-A1 | DERIVATIVES OF ISOTHIAZOL-3 (2H)-THIONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS | AstraZeneca AB (SE) | 2007-10-03 | — | — | EP | disclosed |
| EP-1838686-A1 | DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS | AstraZeneca AB (SE) | 2007-10-03 | — | — | EP | disclosed |
| EP-1838684-A1 | NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-THIONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS | AstraZeneca AB (SE) | 2007-10-03 | — | — | EP | disclosed |
| WO-2006073364-A1 | DERIVATIVES OF ISOTHIAZOL-3 (2H)-THIONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS | ASTRAZENECA AB (SE) | 2006-07-13 | — | — | WO | disclosed |
| WO-2006073365-A1 | NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-THIONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS | ASTRAZENECA AB (SE) | 2006-07-13 | — | — | WO | disclosed |
| WO-2006073363-A1 | DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS | ASTRAZENECA AB (SE) | 2006-07-13 | — | — | WO | disclosed |