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 SCHEMBL3146475 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL27383561 | 0.89 | — | — | |
| Water SCHEMBL7268286 | 0.89 | — | — | |
| Water SCHEMBL28276463 | 0.89 | — | — | |
| Water SCHEMBL28011831 | 0.89 | — | — | |
| Water SCHEMBL28356694 | 0.89 | — | — | |
| SCHEMBL8757 | 0.87 | — | — | |
| SCHEMBL11367292 | 0.87 | — | — | |
| SCHEMBL906180 | 0.87 | — | — | |
| Water SCHEMBL5311502 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3202767-B1 | AZABICYCLO DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND MEDICAL USE THEREOF | SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) | 2019-04-03 | — | — | EP | disclosed |
| US-10085983-B2 | Azabicyclo derivatives, process for preparation thereof and medical use thereof | SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) | 2018-10-02 | — | — | US | disclosed |
| US-9974779-B2 | Piperidine derivatives as human papilloma virus inhibitors | VAXART, INC. (US) | 2018-05-22 | — | — | US | disclosed |
| US-20180021318-A9 | PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS | VAXART, INC. | 2018-01-25 | — | — | US | disclosed |
| US-20170296537-A1 | AZABICYCLO DERIVATIVES, PROCESS FOR PREPARATION THEROF AND MEDICAL USE THEREOF | SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) | 2017-10-19 | — | — | US | disclosed |
| EP-3202767-A1 | AZABICYCLO DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND MEDICAL USE THEREOF | Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) | 2017-08-09 | — | — | EP | disclosed |
| US-20170079968-A1 | PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS | AVIRAGEN THERAPEUTICS INC (US) | 2017-03-23 | — | — | US | disclosed |
| US-9452991-B2 | Piperidine derivatives as human papilloma virus inhibitors | AVIRAGEN THERAPEUTICS, INC. (US) | 2016-09-27 | — | — | US | disclosed |
| US-20120220633-A1 | PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS | ANACONDA PHARMA | 2012-08-30 | — | — | US | disclosed |
| US-8207373-B2 | Benzoic acid derivatives as human papilloma virus inhibitors | ANACONDA PHARMA (FR) | 2012-06-26 | — | — | US | disclosed |
| EP-1948664-B1 | PYRROLOTRIAZINE KINASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2011-06-08 | — | — | EP | disclosed |
| US-20090209586-A1 | PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS | ANACONDA PHARMA | 2009-08-20 | — | — | US | disclosed |
| US-7514435-B2 | Pyrrolotriazine kinase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-04-07 | — | — | US | disclosed |
| EP-1948664-A2 | PYRROLOTRIAZINE KINASE INHIBITORS | Brystol-Myers Squibb Company (US) | 2008-07-30 | — | — | EP | disclosed |
| US-20070149534-A1 | PYRROLOTRIAZINE KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2007-06-28 | — | — | US | disclosed |
| WO-2007061882-A2 | PYRROLOTRIAZINE KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-31 | — | — | WO | disclosed |
| US-4089903-A | Preparation of vicinal-chloraminoalkanes from alpha-olefins chloramines and aluminum halide catalysts | TEXACO INC. (US) | 1978-05-16 | — | — | US | disclosed |