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 | |
|---|---|---|---|---|
| SCHEMBL49393 | 0.89 | — | — | |
| SCHEMBL3887811 | 0.80 | — | — | |
| SCHEMBL17036073 | 0.80 | — | — | |
| SCHEMBL14895247 | 0.80 | — | — | |
| SCHEMBL9480550 | 0.80 | — | — | |
| Trimethylammonium SCHEMBL8966195 | 0.68 | — | — | |
| SCHEMBL439983 | 0.60 | — | — | |
| Water SCHEMBL7594200 | 0.52 | — | — | |
| Ethane SCHEMBL10904760 | 0.52 | — | — | |
| Water SCHEMBL9270989 | 0.52 | — | — |
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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112079729-A | Preparation method of 3-alkyl-5-trifluoromethylaniline | 海南梵圣生物科技有限公司 | 2020-12-15 | — | — | CN | claimed |
| CN-115667225-A | Compound (I) | 詹森药业有限公司 | 2023-01-31 | — | — | CN | disclosed |
| CN-113727758-A | Bicyclic heterocyclic compounds and use thereof | 锐新医药公司 | 2021-11-30 | — | — | CN | disclosed |
| CN-104703979-B | Heterocyclic compounds and their use | 无限药品股份有限公司 | 2018-11-27 | — | — | CN | disclosed |
| CN-105612153-B | Substituted heterocyclic sulfonamide compound as TRPA1 conditioning agents | 豪夫迈·罗氏有限公司 | 2018-09-14 | — | — | CN | disclosed |
| CN-105209467-B | Imidazopyrrolidinone derivatives and their use in the treatment of disease | 诺华股份有限公司 | 2018-06-08 | — | — | CN | disclosed |
| CN-107406470-A | The method that halogenation azaindole compounds are prepared using boron oxygen hexatomic ring | VIIV保健英国第四有限公司 | 2017-11-28 | — | — | CN | disclosed |
| CN-107406433-A | Derivatives of 2, 3-diphenylchromene for the treatment of cancer | 豪夫迈·罗氏有限公司 | 2017-11-28 | — | — | CN | disclosed |
| CN-105121440-B | Salt of pyrazoloquinoline derivative and crystal thereof | 卫材R&D管理有限公司 | 2017-05-24 | — | — | CN | disclosed |
| CN-106459090-A | 3-(pyrimidine-2-yl)imidazo[1,2-A]pyridines | 拜耳制药股份公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-101239969-A | Biphenyl derivatives | THERAVANCE INC (US) | 2008-08-13 | — | — | CN | disclosed |
| CN-101239971-A | Biphenyl derivatives | THERAVANCE INC (US) | 2008-08-13 | — | — | CN | disclosed |
| CN-101239968-A | Biphenyl derivatives | THERAVANCE INC (US) | 2008-08-13 | — | — | CN | disclosed |
| CN-101239970-A | Biphenyl derivatives | THERAVANCE INC (US) | 2008-08-13 | — | — | CN | disclosed |
| CN-100378092-C | Biphenyl derivatives | THERAVANCE INC (US) | 2008-04-02 | — | — | CN | disclosed |
| CN-100344632-C | Fused furan compound | TANABE SEIYAKU CO (JP) | 2007-10-24 | — | — | CN | disclosed |
| CN-1882556-A | Having beta2Compounds with adrenergic receptor agonist and muscarinic receptor antagonist activity | THERAVANCE INC (US) | 2006-12-20 | — | — | CN | disclosed |
| CN-1863538-A | Nucleoside derivatives for treating hepatitis c virus infection | GENELABS TECHNOLOGIES (US) | 2006-11-15 | — | — | CN | disclosed |
| CN-1759108-A | Biphenyl derivatives | THERAVANCE INC (US) | 2006-04-12 | — | — | CN | disclosed |
| CN-1723210-A | Fused furan compound | TANABE SEIYAKU CO (JP) | 2006-01-18 | — | — | CN | disclosed |