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 | |
|---|---|---|---|---|
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.57 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.54 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.80 |
| ▸ | RARB | P10826 | 1/20 | 0.71 |
| ▸ | RARG | P13631 | 1/20 | 0.71 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.67 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.67 |
| ▸ | RXRA | P19793 | 4/20 | 0.60 |
| ▸ | RXRB | P28702 | 4/20 | 0.60 |
| ▸ | RXRG | P48443 | 1/20 | 0.60 |
| ▸ | CA1 | P00915 | 2/20 | 0.59 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.59 |
| ▸ | CA2 | P00918 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | MITF | O75030 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL5182151 | 0.98 | SRD5A2 (0.83) | SRD5A2RARBRARGNR1H4EPHX2 | |
| SCHEMBL226824 | 0.98 | SRD5A2 (0.83) | SRD5A2RARBRARGNR1H4EPHX2 | |
| Water SCHEMBL28711864 | 0.98 | SRD5A2 (0.83) | SRD5A2RARBRARGNR1H4EPHX2 | |
| SCHEMBL29089107 | 0.95 | SRD5A2 (0.80) | SRD5A2RARBRARGNR1H4EPHX2 | |
| SCHEMBL36693 | 0.95 | SRD5A2 (0.87) | SRD5A2RARBRARGNR1H4EPHX2 | |
| SCHEMBL28651309 | 0.93 | SRD5A2 (0.77) | SRD5A2RARBRARGNR1H4EPHX2 | |
| Hydrochloric Acid SCHEMBL1017064 | 0.93 | SRD5A2 (0.83) | SRD5A2RARBRARGNR1H4EPHX2 | |
| SCHEMBL9120613 | 0.93 | SRD5A2 (0.83) | SRD5A2RARBRARGNR1H4EPHX2 | |
| Ammonia Solution, Strong SCHEMBL3842685 | 0.93 | SRD5A2 (0.83) | SRD5A2RARBRARGNR1H4EPHX2 | |
| SCHEMBL4888416 | 0.93 | SRD5A2 (0.83) | SRD5A2RARBRARGNR1H4EPHX2 |
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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114163744-A | Marine recycling and regenerating wear-resistant and heat-resistant display device shell | 东莞市国亨塑胶科技有限公司 | 2022-03-11 | — | — | CN | claimed |
| CN-105713359-A | Method for preparing long natural fiber/polylactic acid-based composite material | 黑龙江鑫达企业集团有限公司 | 2016-06-29 | — | — | CN | claimed |
| CN-105368018-A | Preparation method of highly-transparent and heatproof polylactic acid-based composite material | SICHUAN XINDA ENTPR GROUP CO LTD | 2016-03-02 | — | — | CN | claimed |
| US-9085683-B2 | Nucleating agent composition for enhancing rigidity and toughness of polypropylene | GCH TECHNOLOGY CO., LTD. (CN) | 2015-07-21 | — | — | US | claimed |
| US-20130037743-A1 | NUCLEATING AGENT COMPOSITION FOR ENHANCING RIGIDITY AND TOUGHNESS OF POLYPROPYLENE | GCH TECHNOLOGY CO., LTD. (CN) | 2013-02-14 | — | — | US | claimed |
| CN-114163744-B | Wear-resisting heat-resisting display device shell of regeneration is retrieved to ocean | 东莞市国亨塑胶科技有限公司 | 2024-06-14 | — | — | CN | disclosed |
| CN-117700956-A | High-transparency high-heat-resistance PLA-based composite material and preparation method thereof | 青岛国恩科技股份有限公司 | 2024-03-15 | — | — | CN | disclosed |
| CN-117070022-A | Regenerated polypropylene for hot beverage hard package and preparation method thereof | 上海睿聚环保科技有限公司 | 2023-11-17 | — | — | CN | disclosed |
| CN-114605704-A | High-performance compound nucleating agent composition, polyolefin composition and plastic product | 浙江兴越材料技术有限公司 | 2022-06-10 | — | — | CN | disclosed |
| CN-114409962-A | Treatment method and application of nucleating agent | 北京吉海川科技发展有限公司 | 2022-04-29 | — | — | CN | disclosed |
| CN-114163744-A | Marine recycling and regenerating wear-resistant and heat-resistant display device shell | 东莞市国亨塑胶科技有限公司 | 2022-03-11 | — | — | CN | disclosed |
| CN-105764971-A | Thermoplastic polymer composition | 美利肯公司 | 2016-07-13 | — | — | CN | disclosed |
| CN-1737017-A | Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof | MITSUI CHEMICALS INC (JP) | 2006-02-22 | — | — | CN | disclosed |
| CN-1737016-A | Polar group-containing olefin copolymer, thermoplastic resin composition containing the copolymer, and uses thereof | MITSUI CHEMICALS INC (JP) | 2006-02-22 | — | — | CN | disclosed |
| CN-1219800-C | Polar group-containing olefin copolymer, thermoplastic resin composition containing the same, and use thereof | MITSUI CHEMICALS INC (JP) | 2005-09-21 | — | — | CN | disclosed |
| CN-1639213-A | Adhesive resin for liquid crystal polymer and adhesive resin composition | MITSUI CHEMICALS INC (JP) | 2005-07-13 | — | — | CN | disclosed |
| CN-1613881-A | Olefin polymer | MITSUI CHEMICALS INC (JP) | 2005-05-11 | — | — | CN | disclosed |
| CN-1188435-C | Olefin polymer, process for producing the same, and molded product comprising the same | MITSUI CHEMICALS INC (JP) | 2005-02-09 | — | — | CN | disclosed |
| CN-1362972-A | Olefin polymer and process for producing the same | MITSUI CHEMICALS INC (JP) | 2002-08-07 | — | — | CN | disclosed |
| CN-1342715-A | Polar group-containing olefin copolymer, process for producing the same, thermoplastic resin composition containing the same, and use thereof | MITSUI CHEMICALS INC (JP) | 2002-04-03 | — | — | CN | disclosed |