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 SCHEMBL2730640 | 1.00 | — | — | |
| 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) | — |
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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116693555-A | Imidazopyridazine derivative, preparation method, pharmaceutical composition and application thereof | 上海赛默罗生物科技有限公司 | 2023-09-05 | — | — | CN | disclosed |
| WO-2023160475-A1 | IMIDAZOPYRIDAZINE DERIVATIVE, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF | 上海赛默罗生物科技有限公司 | 2023-08-31 | — | — | WO | disclosed |
| CN-115837038-A | Preparation and application of haematococcus pluvialis extract | 厦门大学 | 2023-03-24 | — | — | CN | disclosed |
| CN-113173952-B | Ortho-dithiol reactive therapeutic probe for drug release monitoring and preparation | 济南大学 | 2022-05-24 | — | — | CN | disclosed |
| CN-110041338-B | Bis-indole maleimide compound with anti-tumor activity and application thereof | 贵州省中国科学院天然产物化学重点实验室 | 2021-11-30 | — | — | CN | disclosed |
| CN-113173952-A | Ortho-dithiol reactive therapeutic probe for drug release monitoring and preparation | 济南大学 | 2021-07-27 | — | — | CN | disclosed |
| CN-105884861-B | 1- acetyl group-B-carboline acyl-tryptophan of LDV modification, preparation, nanostructure, activity and application | 首都医科大学 | 2019-09-13 | — | — | CN | disclosed |
| CN-105884862-B | B-carboline acyl-tryptophan of RGD tetrapeptide modification, preparation, nanostructure, activity and application | 首都医科大学 | 2019-09-13 | — | — | CN | disclosed |
| CN-105884863-B | 1- acetyl group-B-carboline acyl-tryptophan of LPNISKP modification, preparation, nanostructure, activity and application | 首都医科大学 | 2019-09-13 | — | — | CN | disclosed |
| CN-110041338-A | One kind double indoles maleic amide class compounds with anti-tumor activity and its application | 贵州省中国科学院天然产物化学重点实验室 | 2019-07-23 | — | — | CN | disclosed |
| US-20120283284-A1 | MELONINE BISINDOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, PREPARATION METHOD AND USE THEREOF | KUNMING INSTITUTE OF BOTANY, THE CHINESE ACADEMY OF SCIENCES (CN) | 2012-11-08 | — | — | US | 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-2010065674-A9 | INHIBITORS OF HCV NS5A | PRESIDIO PHARMACEUTICALS, INC. (US) | 2012-05-31 | — | — | WO | disclosed |
| US-20120122864-A1 | INHIBITORS OF HCV NS5A | PRESIDIO PHARMACEUTICALS, INC. (US) | 2012-05-17 | — | — | US | disclosed |
| WO-2012058125-A1 | INHIBITORS OF HEPATITIS C VIRUS | PRESIDIO PHARMACEUTICALS, INC. (US) | 2012-05-03 | — | — | WO | disclosed |
| WO-2011149856-A1 | INHIBITORS OF HCV NS5A | PRESIDIO PHARMACEUTICALS, INC. (US) | 2011-12-01 | — | — | WO | disclosed |
| EP-2373172-A1 | INHIBITORS OF HCV NS5A | Presidio Pharmaceuticals, Inc. (US) | 2011-10-12 | — | — | EP | disclosed |
| WO-2010065674-A1 | INHIBITORS OF HCV NS5A | PRESIDIO PHARMACEUTICALS, INC. (US) | 2010-06-10 | — | — | WO | disclosed |
| US-20080255196-A1 | Fungicides, insecticides; controlling phytopathology fungi or insect damage to plants | BAYER CROPSCIENCE AG (DE) | 2008-10-16 | — | — | US | disclosed |