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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL37338 | 0.95 | ALDH1A1 (0.46) | ALDH1A1LMNATDP1TSHR | |
| SCHEMBL1267233 | 0.91 | ALDH1A1 (0.42) | ALDH1A1LMNATDP1TSHR | |
| Fluoride SCHEMBL923683 | 0.91 | ALDH1A1 (0.42) | ALDH1A1LMNATDP1TSHR | |
| Ammonia Solution, Strong SCHEMBL4280952 | 0.91 | ALDH1A1 (0.42) | ALDH1A1LMNATDP1TSHR | |
| SCHEMBL5595182 | 0.91 | ALDH1A1 (0.42) | ALDH1A1LMNATDP1TSHR | |
| SCHEMBL1535125 | 0.91 | ALDH1A1 (0.42) | ALDH1A1LMNATDP1TSHR | |
| SCHEMBL2051248 | 0.91 | ALDH1A1 (0.42) | ALDH1A1LMNATDP1TSHR | |
| Hydrochloric Acid SCHEMBL81805 | 0.91 | ALDH1A1 (0.42) | ALDH1A1LMNATDP1TSHR | |
| SCHEMBL7083879 | 0.91 | ALDH1A1 (0.42) | ALDH1A1LMNATDP1TSHR | |
| SCHEMBL3638600 | 0.91 | ALDH1A1 (0.42) | ALDH1A1LMNATDP1TSHR |
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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9105796-B2 | CZTS/Se precursor inks and methods for preparing CZTS/Se thin films and CZTS/Se-based photovoltaic cells | E I DU PONT DE NEMOURS AND COMPANY (US) | 2015-08-11 | — | — | US | disclosed |
| US-20150118144-A1 | DISPERSIBLE METAL CHALCOGENIDE NANOPARTICLES | E I DU PONT NEMOURS AND COMPANY (US) | 2015-04-30 | — | — | US | disclosed |
| US-20130125988-A1 | CZTS/Se PRECURSOR INKS AND METHODS FOR PREPARING CZTS/Se THIN FILMS AND CZTS/Se-BASED PHOTOVOLTAIC CELLS | E I DU PONT DE NEMOURS AND COMPANY (US) | 2013-05-23 | — | — | US | disclosed |
| US-8173584-B2 | Composition and method for treating semiconductor substrate surface | LASERWORT LTD (HK) | 2012-05-08 | — | — | US | disclosed |
| US-20120083436-A1 | COMPOSITION AND METHOD FOR TREATING SEMICONDUCTOR SUBSTRATE SURFACE | LASERWORT LTD (HK) | 2012-04-05 | — | — | US | disclosed |
| US-8101561-B2 | Composition and method for treating semiconductor substrate surface | LASERWORT LTD (HK) | 2012-01-24 | — | — | US | disclosed |
| US-20110118165-A1 | COMPOSITION AND METHOD FOR TREATING SEMICONDUCTOR SUBSTRATE SURFACE | Lee, Wai Mun (US) | 2011-05-19 | — | — | US | disclosed |
| EP-1448247-B1 | CREATION OF TISSUE ENGINEERED FEMALE REPRODUCTIVE ORGANS | CHILDRENS MEDICAL CENTER (US) | 2011-02-16 | — | — | EP | disclosed |
| US-7806937-B2 | Tissue engineered female reproductive organs | CHILDREN'S MEDICAL CENTER CORPORATION (US) | 2010-10-05 | — | — | US | disclosed |
| US-7429490-B2 | Tissue engineered uterus | CHILDREN'S MEDICAL CENTER (US) | 2008-09-30 | — | — | US | disclosed |
| WO-2002098413-A2 | PHARMACEUTICAL COMPOSITIONS COMPRISING ORLISTAT AND FATTY ACIDS AND/OR SALTS THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2002-12-12 | — | — | WO | disclosed |
| WO-2002040630-A2 | PROCESS OF DECELLULARIZING BIOLOGICAL MATRICES AND ACELLULAR BIOLOGICAL MATRICES USEFUL IN TISSUE ENGINEERING | AMIEL GILAD E (IL) | 2002-05-23 | — | — | WO | disclosed |
| US-5391465-A | Using phenothiazine or phenoxazine compounds | ROHM AND HAAS COMPANY (US) | 1995-02-21 | — | — | US | disclosed |
| US-5318726-A | 3-hydroxy-2,2'-iminodisuccinic acid and water soluble salts; biodegradable, used in detergents | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1994-06-07 | — | — | US | disclosed |
| EP-0404499-A2 | Photosensitive compositions comprising selected photoactive materials and their use in producing high resolution, photoresist images with near ultraviolet radiation | ROHM AND HAAS COMPANY (US) | 1990-12-27 | — | — | EP | disclosed |
| EP-0134708-B1 | PROCESS FOR PREPARING COLLOIDAL SOLUTION OF ANTIMONY PENTOXIDE | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1989-10-18 | — | — | EP | disclosed |
| US-4847194-A | Colorimetric detection of delta-5-3-ketosteroid isomerase and immunoassay based thereon | BECTON, DICKINSON AND COMPANY (US) | 1989-07-11 | — | — | US | disclosed |
| US-4685933-A | Concentrated reactive dyestuff solutions containing cyanamide compound as stabilizer | BAYER AKTIENGESELLSCHAFT (DE) | 1987-08-11 | — | — | US | disclosed |
| US-4562058-A | FROM POTASSIUM CHLORIDE AND LANGBEINITE, CRYSTAL GROWTH ENHANCER | INTERNATIONAL MINERALS & CHEMICAL CORP. (US) | 1985-12-31 | — | — | US | disclosed |
| EP-0107284-A2 | Process for the preparation of dispersions and gels | UNITED KINGDOM ATOMIC ENERGY AUTHORITY (GB) | 1984-05-02 | — | — | EP | disclosed |