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 | |
|---|---|---|---|---|
| SCHEMBL295143 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL7173417 | 0.86 | — | — | |
| Methyl Alcohol SCHEMBL956480 | 0.84 | — | — | |
| SCHEMBL8961021 | 0.77 | — | — | |
| Chlorethanamine SCHEMBL11527178 | 0.76 | — | — | |
| Methyl Alcohol SCHEMBL6038139 | 0.76 | — | — | |
| Chloroform SCHEMBL28447144 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL11328486 | 0.71 | — | — | |
| SCHEMBL2571539 | 0.71 | — | — | |
| Chloroform SCHEMBL97425 | 0.68 | — | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210115003-A1 | NOVEL FULLY SYNTHETIC AND SEMISYNTHETIC PLEUROMUTILIN DERIVATIVES AS NEW ANTIBIOTICS AND THEIR PREPARATION | YALE UNIVERSITY (US) | 2021-04-22 | — | — | US | disclosed |
| EP-3658548-A1 | COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR | Arvinas Operations, Inc. (US) | 2020-06-03 | — | — | EP | disclosed |
| CN-111212835-A | Compounds and methods for targeted degradation of androgen receptors | 阿尔维纳斯运营股份有限公司 | 2020-05-29 | — | — | CN | disclosed |
| US-20200055825-A1 | COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR | Arvinas, Inc. | 2020-02-20 | — | — | US | disclosed |
| WO-2019191547-A1 | NOVEL FULLY SYNTHETIC AND SEMISYNTHETIC PLEUROMUTILIN DERIVATIVES AS NEW ANTIBIOTICS AND THEIR PREPARATION | YALE UNIVERSITY (US) | 2019-10-03 | — | — | WO | disclosed |
| WO-2019023553-A1 | COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR | Arvinas, Inc. (US) | 2019-01-31 | — | — | WO | disclosed |
| US-20170327469-A1 | COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR | ARVINAS OPERATIONS, INC. | 2017-11-16 | — | — | US | disclosed |
| US-20130310411-A1 | NOVEL ACRIDINE DERIVATIVES | PHARMINOX LIMITED (GB) | 2013-11-21 | — | — | US | disclosed |
| US-8263594-B2 | Aryloxy and arylalkyleneoxy substituted imidazoquinolines | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2012-09-11 | — | — | US | disclosed |
| EP-2379543-A2 | THIAZOLYL-BENZIMIDAZOLES | F. Hoffmann-La Roche AG (CH) | 2011-10-26 | — | — | EP | disclosed |
| US-20110144099-A1 | ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES | 3M INNOVATIVE PROPERTIES COMPANY | 2011-06-16 | — | — | US | disclosed |
| WO-2010121675-A2 | THIAZOLYL-BENZIMIDAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-28 | — | — | WO | disclosed |
| US-20070112008-A1 | Saframycins, analogues and uses thereof | MYERS ANDREW G | 2007-05-17 | — | — | US | disclosed |
| US-7122549-B2 | Saframycins, analogues and uses thereof | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2006-10-17 | — | — | US | disclosed |
| US-6809099-B2 | FOR THERAPY OF CANCER | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2004-10-26 | — | — | US | disclosed |
| US-20040204419-A1 | Saframycins, analogues and uses thereof | MYERS ANDREW G (US) | 2004-10-14 | — | — | US | disclosed |
| US-20030008873-A1 | Saframycins, analogues and uses thereof | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2003-01-09 | — | — | US | disclosed |
| EP-0901489-A1 | ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | Merck & Co., Inc. (US) | 1999-03-17 | — | — | EP | disclosed |
| WO-1997044339-A1 | ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | MERCK & CO., INC. (US) | 1997-11-27 | — | — | WO | disclosed |