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 | |
|---|---|---|---|---|
| Water SCHEMBL250987 | 1.00 | — | — | |
| Water SCHEMBL2731747 | 1.00 | ALDH1A1 (0.50) | — | |
| Water SCHEMBL2501699 | 1.00 | — | — | |
| Water SCHEMBL2501638 | 1.00 | ALDH1A1 (0.50) | — | |
| Water SCHEMBL2501534 | 1.00 | ALDH1A1 (0.50) | — | |
| Water SCHEMBL2731420 | 1.00 | ALDH1A1 (0.50) | — | |
| Water SCHEMBL7926810 | 1.00 | ALDH1A1 (0.50) | — | |
| Water SCHEMBL2497290 | 1.00 | ALDH1A1 (0.50) | — | |
| Water SCHEMBL12807087 | 1.00 | ALDH1A1 (0.50) | — | |
| Water SCHEMBL2501700 | 1.00 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117088884-A | Imidazopyridazine derivatives as GABAA receptor modulators, pharmaceutical compositions and uses | 上海赛默罗德生物科技有限公司 | 2023-11-21 | — | — | CN | disclosed |
| US-20230174485-A1 | LIPOXYGENASE INHIBITORS | SRI INTERNATIONAL (US) | 2023-06-08 | — | — | US | disclosed |
| CN-115335046-A | Lipoxygenase inhibitors | 思研（SRI）国际顾问与咨询公司 | 2022-11-11 | — | — | CN | disclosed |
| CN-115160123-A | Method for preparing carboxylic acid compound by oxidizing alcohol with oxygen as oxidant under catalysis of copper | 复旦大学 | 2022-10-11 | — | — | CN | disclosed |
| CN-109369344-A | A method of the separation and Extraction cannabidiol from industrial hemp plant | 云南民族大学 | 2019-02-22 | — | — | CN | disclosed |
| CN-105985401-A | Tripterine derivative, and preparation method and use thereof | 上海华拓医药科技发展有限公司 | 2016-10-05 | — | — | CN | disclosed |
| EP-2632261-B1 | INHIBITORS OF HEPATITIS C VIRUS | PRESIDIO PHARMACEUTICALS INC (US) | 2016-07-13 | — | — | EP | disclosed |
| US-9309260-B2 | Inhibitors of hepatitis C virus | PRESIDIO PHARMACEUTICALS, INC. (US) | 2016-04-12 | — | — | US | disclosed |
| US-9085587-B2 | Inhibitors of hepatitis C virus | PRESIDIO PHARMACEUTICALS, INC. (US) | 2015-07-21 | — | — | US | disclosed |
| US-20140286899-A1 | INHIBITORS OF HEPATITIS C VIRUS | PRESIDIO PHARMACEUTICALS, INC. (US) | 2014-09-25 | — | — | US | disclosed |
| US-8614207-B2 | Inhibitors of hepatitis C virus | PRESIDIO PHARMACEUTICALS, INC. (US) | 2013-12-24 | — | — | US | disclosed |
| US-20130302282-A1 | Inhibitors of Hepatitis C Virus | PRESIDIO PHARMACEUTICALS, INC. (US) | 2013-11-14 | — | — | US | disclosed |
| WO-2013163466-A1 | INHIBITORS OF HEPATITIS C VIRUS | PRESIDIO PHARMACEUTICALS, INC. (US) | 2013-10-31 | — | — | WO | disclosed |
| EP-2632261-A1 | INHIBITORS OF HEPATITIS C VIRUS | Presidio Pharmaceuticals, Inc. (US) | 2013-09-04 | — | — | EP | disclosed |
| US-20120276051-A1 | INHIBITORS OF HEPATITIS C VIRUS | PRESIDIO PHARMACEUTICALS, INC. (US) | 2012-11-01 | — | — | US | disclosed |
| US-20120251497-A1 | INHIBITORS OF HEPATITIS C VIRUS | PRESIDIO PHARMACEUTICALS, INC. | 2012-10-04 | — | — | US | disclosed |
| WO-2012058125-A1 | INHIBITORS OF HEPATITIS C VIRUS | PRESIDIO PHARMACEUTICALS, INC. (US) | 2012-05-03 | — | — | WO | disclosed |