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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.55 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.55 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.55 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.55 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.60 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.60 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.55 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.55 |
| ▸ | FAAH | O00519 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.55 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.55 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.55 |
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 SCHEMBL10586204 | 1.00 | GABRA1 (0.60) | GABRA1GABRB2GABRG2GABRB3FAAH | |
| Water SCHEMBL10586200 | 1.00 | GABRA1 (0.60) | GABRA1GABRB2GABRG2GABRB3FAAH | |
| SCHEMBL66162 | 0.96 | GABRA1 (0.63) | GABRA1GABRB2GABRG2GABRB3FAAH | |
| SCHEMBL29429205 | 0.96 | GABRA1 (0.63) | GABRA1GABRB2GABRG2GABRB3FAAH | |
| Hydrochloric Acid SCHEMBL30437397 | 0.93 | GABRA1 (0.60) | GABRA1GABRB2GABRG2GABRB3FAAH | |
| SCHEMBL31204330 | 0.93 | GABRA1 (0.60) | GABRA1GABRB2GABRG2GABRB3FAAH | |
| Bromide SCHEMBL30437831 | 0.93 | GABRA1 (0.60) | GABRA1GABRB2GABRG2GABRB3FAAH | |
| Ammonia Solution, Strong SCHEMBL7550582 | 0.93 | GABRA1 (0.60) | GABRA1GABRB2GABRG2GABRB3FAAH | |
| SCHEMBL6203906 | 0.93 | GABRA1 (0.60) | GABRA1GABRB2GABRG2GABRB3FAAH | |
| Benzene SCHEMBL3121322 | 0.93 | GABRA1 (0.60) | GABRA1GABRB2GABRG2GABRB3FAAH |
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 102 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106866885-B | Preparation method of small-particle-size polybutadiene latex | 中国石油天然气股份有限公司 | 2019-09-03 | — | — | CN | claimed |
| CN-110079221-A | A kind of highly reliable high-gain white EVA photovoltaic glue film of two-layer compound and preparation method thereof | 常州斯威克光伏新材料有限公司 | 2019-08-02 | — | — | CN | claimed |
| CN-109824804-A | Preparation method of chlorinated polyethylene rubber | 杭州科利化工股份有限公司 | 2019-05-31 | — | — | CN | claimed |
| CN-109135472-A | The formula and preparation method thereof of Neon SiC powder coating | 浙江埃普瑞纳米材料有限公司 | 2019-01-04 | — | — | CN | claimed |
| CN-108822816-A | A kind of molten GEL USED FOR PLUGGING WELL LOST CIRCULATION of loose sand theobromine and preparation method thereof | 中国石油集团渤海钻探工程有限公司 | 2018-11-16 | — | — | CN | claimed |
| CN-108659181-A | Nucleocapsid resin covering of high-fire resistance and its preparation method and application | 中国石油化工股份有限公司 | 2018-10-16 | — | — | CN | claimed |
| CN-106590471-B | A kind of infrared shielding type EVA photovoltaic glued membranes | 常州斯威克光伏新材料有限公司 | 2018-09-14 | — | — | CN | claimed |
| CN-108503756-A | Vinyl monomer modified polyester resin, shrinking agent and preparation method | 常州华科聚合物股份有限公司 | 2018-09-07 | — | — | CN | claimed |
| CN-107011252-A | The method for drawing azole intermediate and medicine is prepared using the green technology for substituting the poisonous and harmful substances such as phosgene, thionyl chloride | 浙江工业大学 | 2017-08-04 | — | — | CN | claimed |
| CN-106810792-A | A kind of polyvinyl chloride flame-retardant board and its production technology | 保定市力达塑业有限公司 | 2017-06-09 | — | — | CN | claimed |
| CN-102532726-A | Non-toxic and odorless ethylene propylene rubber cable material for submersible motor and preparation method thereof | SHANGHAI SPECIAL CABLE ELECTROTECHNICAL CO LTD | 2012-07-04 | — | — | CN | claimed |
| CN-102140189-B | Hydrogenated nitrile rubber composition capable of resisting hydrothion corrosion | UNIV CHINA PETROLEUM | 2012-06-13 | — | — | CN | claimed |
| CN-101735734-B | Anaerobic adhesive initiator composition and anaerobic adhesive containing initiator | GUANGDONG HENGDA NEW MATERIALS TECHNOLOGY CO LTD | 2012-05-16 | — | — | CN | claimed |
| CN-101831082-B | Preparation method of reactive phosphorus-nitrogen intumescent flame retardant | UNIV SOUTH CHINA TECH | 2012-05-09 | — | — | CN | claimed |
| CN-102443214-A | Preparation method of high-rate polyethylene foam material | UNIV FUJIAN | 2012-05-09 | — | — | CN | claimed |
| CN-102408636-A | Demagnetizing cable insulating material and preparation method thereof | ZHONGTIAN TECHNOLOGY EQUIPMENT CABLE CO LTD | 2012-04-11 | — | — | CN | claimed |
| CN-102408654-A | Cable sheath material for offshore platform and preparation method thereof | ZHONGTIAN TECHNOLOGY EQUIPMENT CABLE CO LTD | 2012-04-11 | — | — | CN | claimed |
| CN-102408629-A | Preparation method of polypropylene foam material based on novel auxiliary agent system | UNIV FUJIAN | 2012-04-11 | — | — | CN | claimed |
| CN-102382370-A | Polypropylene engineering plastic as well as preparation method and application thereof | POLYMER SCI SHENZHEN NEW MAT | 2012-03-21 | — | — | CN | claimed |
| CN-102367286-A | ABS/PET compatilizer, its preparation method and ABS/PET alloy | POLYMER SCI SHENZHEN NEW MAT | 2012-03-07 | — | — | CN | claimed |