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 | |
|---|---|---|---|---|
| SCHEMBL109650 | 0.96 | CYP1A2 (0.62) | — | |
| SCHEMBL1525601 | 0.96 | — | — | |
| SCHEMBL22081972 | 0.96 | CYP1A2 (0.62) | — | |
| SCHEMBL29881712 | 0.96 | — | — | |
| Bromide SCHEMBL2085597 | 0.92 | — | — | |
| Benzene SCHEMBL19894402 | 0.92 | CYP1A2 (0.59) | — | |
| SCHEMBL7913483 | 0.92 | CYP1A2 (0.59) | — | |
| Hydrochloric Acid SCHEMBL4314909 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL656057 | 0.92 | — | — | |
| SCHEMBL27428890 | 0.92 | CYP1A2 (0.59) | — |
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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102757424-B | 2-benzyl-substituted-benzofuran-imidazolium compounds and preparation method thereof | YUNNAN UNIVERSITY (CN) | 2014-10-15 | — | — | CN | claimed |
| CN-102757424-A | 2-benzyl-substituted-benzofuran-imidazolium compounds and preparation method thereof | UNIV YUNNAN | 2012-10-31 | — | — | CN | claimed |
| US-20240207411-A1 | LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS | SEAPORT THERAPEUTICS, INC. | 2024-06-27 | — | — | US | disclosed |
| US-11975073-B2 | Lipid prodrugs of neurosteroids | PURETECH LYT, INC. (US) | 2024-05-07 | — | — | US | disclosed |
| US-11938137-B2 | Lipid prodrugs of mycophenolic acid and uses thereof | PURETECH LYT, INC. (US) | 2024-03-26 | — | — | US | disclosed |
| US-11883497-B2 | Lymphatic system-directing lipid prodrugs | PURETECH LYT, INC. (US) | 2024-01-30 | — | — | US | disclosed |
| EP-4306524-A2 | LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS | PureTech LYT, Inc. (US) | 2024-01-17 | — | — | EP | disclosed |
| US-20230338552-A1 | LIPID PRODRUGS OF NEUROSTEROIDS | PURETECH LYT, INC. (US) | 2023-10-26 | — | — | US | disclosed |
| US-11608345-B1 | Lipid prodrugs of rapamycin and its analogs and uses thereof | PURETECH LYT, INC. (US) | 2023-03-21 | — | — | US | disclosed |
| US-20230062834-A1 | LIPID PRODRUGS OF RAPAMYCIN AND ITS ANALOGS AND USES THEREOF | SEAPORT THERAPEUTICS, INC. | 2023-03-02 | — | — | US | disclosed |
| US-20220395513-A1 | LIPID PRODRUGS OF NEUROSTEROIDS | PURETECH LYT, INC. (US) | 2022-12-15 | — | — | US | disclosed |
| EP-2662095-A1 | Pyrrolobenzodiazepines and conjugates thereof | Spirogen Sàrl (CH) | 2013-11-13 | — | — | EP | disclosed |
| EP-2528625-B1 | PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF | SPIROGEN SARL (CH) | 2013-07-10 | — | — | EP | disclosed |
| US-20130028917-A1 | PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF | SPIROGEN DEVELOPMENTS SÀRL (CH) | 2013-01-31 | — | — | US | disclosed |
| EP-2528625-A1 | PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF | Spirogen Developments SARL (CH) | 2012-12-05 | — | — | EP | disclosed |
| CN-102762294-A | Selective fixing agent for halogenated aromatic compound contained in medium and selective fixing method | NEOS COMPANY LTD | 2012-10-31 | — | — | CN | disclosed |
| CN-102757424-A | 2-benzyl-substituted-benzofuran-imidazolium compounds and preparation method thereof | UNIV YUNNAN | 2012-10-31 | — | — | CN | disclosed |
| WO-2011130598-A1 | PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF | SPIROGEN LIMITED (GB) | 2011-10-20 | — | — | WO | disclosed |
| US-20110256157-A1 | PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF | SPIROGEN LIMITED (GB) | 2011-10-20 | — | — | US | disclosed |
| US-4814095-A | MIXTURE WITH NEUTRALIZATION AND DISINTEGRATION AGENT, FILLER AND BINDER | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1989-03-21 | — | — | US | disclosed |