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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 2/20 | 0.55 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.55 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.47 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.47 |
| ▸ | ADRB3 known ✓ | P13945 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 5/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | RARB | P10826 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
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 SCHEMBL200504 | 1.00 | TSHR (0.63) | TSHRCYP3A4THRBMEN1HTT | |
| Water SCHEMBL10352169 | 1.00 | TSHR (0.63) | TSHRCYP3A4THRBMEN1HTT | |
| SCHEMBL27130 | 0.96 | TSHR (0.67) | TSHRCYP3A4THRBMEN1HTT | |
| Water SCHEMBL11182903 | 0.96 | TSHR (0.67) | TSHRCYP3A4THRBMEN1HTT | |
| SCHEMBL1132722 | 0.96 | TSHR (0.67) | TSHRCYP3A4THRBMEN1HTT | |
| SCHEMBL1133315 | 0.96 | TSHR (0.67) | TSHRCYP3A4THRBMEN1HTT | |
| SCHEMBL8636270 | 0.96 | TSHR (0.67) | TSHRCYP3A4THRBMEN1HTT | |
| SCHEMBL988078 | 0.96 | TSHR (0.67) | TSHRCYP3A4THRBMEN1HTT | |
| SCHEMBL30673 | 0.96 | TSHR (0.67) | TSHRCYP3A4THRBMEN1HTT | |
| SCHEMBL217238 | 0.96 | TSHR (0.67) | TSHRCYP3A4THRBMEN1HTT |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111683786-B | Flux and solder paste | 千住金属工业株式会社 | 2022-01-11 | — | — | CN | disclosed |
| US-11179813-B2 | Flux and solder paste | SENJU METAL INDUSTRY CO., LTD. (JP) | 2021-11-23 | — | — | US | disclosed |
| US-20210069837-A1 | Flux and Solder Paste | SENJU METAL INDUSTRY CO., LTD. (JP) | 2021-03-11 | — | — | US | disclosed |
| CN-111683786-A | Flux and solder paste | 千住金属工业株式会社 | 2020-09-18 | — | — | CN | disclosed |
| EP-1698942-B1 | WATER-DEVELOPABLE PHOTOPOLYMER PLATE FOR LETTERPRESS PRINTING | ASAHI KASEI CHEMICALS CORP (JP) | 2016-04-13 | — | — | EP | disclosed |
| US-8883399-B2 | Ablation layer, photosensitive resin structure, and method for producing relief printing plate using the photosensitive resin structure | ASAHI KASEI E-MATERIALS CORPORATION (JP) | 2014-11-11 | — | — | US | disclosed |
| EP-2381309-B1 | ABLATION LAYER, PHOTOSENSITIVE RESIN STRUCTURE, AND METHOD FOR PRODUCING RELIEF PRINTING PLATE USING THE PHOTOSENSITIVE RESIN STRUCTURE | ASAHI KASEI E MATERIALS CORP (JP) | 2013-08-07 | — | — | EP | disclosed |
| US-8445180-B2 | Water-developable photopolymer plate for letterpress printing | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2013-05-21 | — | — | US | disclosed |
| US-20110275016-A1 | ABLATION LAYER, PHOTOSENSITIVE RESIN STRUCTURE, AND METHOD FOR PRODUCING RELIEF PRINTING PLATE USING THE PHOTOSENSITIVE RESIN STRUCTURE | ASAHI KASEI E-MATERIALS CORPORATION (JP) | 2011-11-10 | — | — | US | disclosed |
| EP-2381309-A1 | ABLATION LAYER, PHOTOSENSITIVE RESIN STRUCTURE, AND METHOD FOR PRODUCING RELIEF PRINTING PLATE USING THE PHOTOSENSITIVE RESIN STRUCTURE | Asahi Kasei E-materials Corporation (JP) | 2011-10-26 | — | — | EP | disclosed |
| US-20070160933-A1 | Water-developable photopolymer plate for letterpress printing | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2007-07-12 | — | — | US | disclosed |
| EP-1698942-A1 | WATER-DEVELOPABLE PHOTOPOLYMER PLATE FOR LETTERPRESS PRINTING | Asahi Kasei Chemicals Corporation (JP) | 2006-09-06 | — | — | EP | disclosed |