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 | |
|---|---|---|---|---|
| SCHEMBL68461 | 0.96 | — | — | |
| SCHEMBL28170478 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL6160570 | 0.77 | — | — | |
| Water SCHEMBL28335546 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL6160563 | 0.77 | TSHR (0.40) | — | |
| SCHEMBL15150843 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL27551993 | 0.72 | TSHR (0.50) | — | |
| Water SCHEMBL28211910 | 0.72 | — | — | |
| Water SCHEMBL28209712 | 0.72 | TSHR (0.50) | — | |
| SCHEMBL616329 | 0.72 | — | — |
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-110003441-A | A kind of preparation method of UV curable water-borne isocyanates grafting fluorosilicone modified epoxy acrylate resin | 广州大学 | 2019-07-12 | — | — | CN | claimed |
| CN-109762346-A | A kind of Fluorosilicone rubber composition and preparation method | 福建拓烯新材料科技有限公司 | 2019-05-17 | — | — | CN | claimed |
| CN-107513349-B | A kind of wood coating composition and its production technology | 北京艺威木业有限责任公司 | 2019-08-06 | — | — | CN | disclosed |
| CN-110003441-A | A kind of preparation method of UV curable water-borne isocyanates grafting fluorosilicone modified epoxy acrylate resin | 广州大学 | 2019-07-12 | — | — | CN | disclosed |
| CN-107532737-B | Check-valves and the microchemistry chip for using the check-valves | 株式会社朝日精细橡胶研究所 | 2019-06-28 | — | — | CN | disclosed |
| CN-109897152-A | A kind of silicon fluoride modified polyether type polyurethane underwater acoustic transmission material and preparation method thereof | 中南大学 | 2019-06-18 | — | — | CN | disclosed |
| CN-109880051-A | Modified polycaprolactone-type urethane underwater acoustic transmission material of a kind of silicon fluoride and preparation method thereof | 中南大学 | 2019-06-14 | — | — | CN | disclosed |
| CN-109762346-A | A kind of Fluorosilicone rubber composition and preparation method | 福建拓烯新材料科技有限公司 | 2019-05-17 | — | — | CN | disclosed |
| CN-109181532-A | A kind of room temperature curing organosilicon coating and preparation method thereof | 湖北兴瑞硅材料有限公司 | 2019-01-11 | — | — | CN | disclosed |
| CN-109180523-A | A kind of debubbling method of amides compound and phosgene reaction system | 湖南化工研究院有限公司 | 2019-01-11 | — | — | CN | disclosed |
| CN-107189753-A | A kind of de-oxime type oil resistant fluorine silicone sealant and preparation method thereof | 山东大学 | 2017-09-22 | — | — | CN | disclosed |
| CN-107109782-A | Strength-retaining fabric | 美国圣戈班性能塑料公司 | 2017-08-29 | — | — | CN | disclosed |