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 | |
|---|---|---|---|---|
| SCHEMBL239458 | 0.95 | — | — | |
| SCHEMBL11129130 | 0.90 | — | — | |
| SCHEMBL2512465 | 0.90 | — | — | |
| SCHEMBL27596874 | 0.89 | — | — | |
| SCHEMBL48883 | 0.89 | — | — | |
| SCHEMBL704170 | 0.84 | — | — | |
| SCHEMBL8149703 | 0.84 | — | — | |
| SCHEMBL9583504 | 0.84 | — | — | |
| Ammonia Solution, Strong SCHEMBL6551274 | 0.84 | — | — | |
| SCHEMBL476442 | 0.84 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200182617-A1 | Necrosis Inhibitors | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2020-06-11 | — | — | US | disclosed |
| US-10555920-B2 | Necrosis inhibitors | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2020-02-11 | — | — | US | disclosed |
| US-20190038578-A1 | Necrosis Inhibitors | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2019-02-07 | — | — | US | disclosed |
| US-20100234363-A1 | HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 DATA-HYDROXYSTEROID DEHYDROGENASE | INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) | 2010-09-16 | — | — | US | disclosed |
| EP-2208728-A1 | HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 -HYDROXYSTEROID DEHYDROGENASE | Institute Of Medicinal Molecular Design, Inc. (JP) | 2010-07-21 | — | — | EP | disclosed |
| US-6831069-B2 | Having substituents at the C4' and C5' positions of the ribofuranose moiety; anticancer and immunomodulating effects at reduced cytotoxicity; treating autoimmune diseases, cancer, dermatitis | RIBAPHARM INC. | 2004-12-14 | — | — | US | disclosed |
| EP-1363581-A2 | PYRROLO(2,3-D)PYRIMIDINE NUCLEOSIDE ANALOGS | Ribapharm, Inc. (US) | 2003-11-26 | — | — | EP | disclosed |
| WO-2002100354-A2 | PYRROLO[2,3-D]PYRIMIDINE NUCLEOSIDE ANALOGS | RIBAPHARM INC. (US) | 2002-12-19 | — | — | WO | disclosed |
| US-20020035077-A1 | Pyrrolo[2,3-d]pyrimidine nucleoside analogs | CEQUENT PHARMACEUTICALS, INC. | 2002-03-21 | — | — | US | disclosed |
| US-5627192-A | ANTILIPEMIC AGENTS, ANTICHOLESTEROL AGENTS OR ANTIOXIDANTS | BRISTROL-MYERS SQUIBB COMPANY (US) | 1997-05-06 | — | — | US | disclosed |
| US-5411969-A | Antihyperlipidemic/antioxidant dihydroquinolines | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-05-02 | — | — | US | disclosed |