Ouabain

Ouabain

SCHEMBL413472

C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O.O.O.O.O.O.O.O.O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Ouabain. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 1.00
TP53 P04637 7/20 1.00
LMNA P02545 5/20 1.00
HIF1A Q16665 5/20 1.00
NPC1 O15118 4/20 1.00
RAB9A P51151 4/20 1.00
GMNN O75496 2/20 0.99
KLF5 Q13887 2/20 0.99
TSHR P16473 2/20 0.99
NFKB1 P19838 2/20 0.99
ATP1A1 P05023 2/20 0.99
ATP1B1 P05026 2/20 0.99
ATP1A3 P13637 2/20 0.99
ATP1B2 P14415 2/20 0.99
ATP1A2 P50993 2/20 0.99
ATP1B3 P54709 2/20 0.99
FXYD2 P54710 2/20 0.99
ATP1A4 Q13733 2/20 0.99
CYP2C19 P33261 1/20 0.99
CYP1A2 P05177 1/20 0.99

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
Ouabain SCHEMBL4298579 1.00 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1
Ouabain SCHEMBL14973728 1.00 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1
Ouabain SCHEMBL17936503 0.99 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1
Ouabain SCHEMBL10044992 0.99 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1
Ouabain SCHEMBL14633742 0.99 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1
Ouabain SCHEMBL24951415 0.99 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1
Ouabain SCHEMBL21960068 0.99 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1
Ouabain SCHEMBL22824877 0.99 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1
Ouabain SCHEMBL21960066 0.99 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1
Ouabain SCHEMBL24444049 0.99 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1

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 133 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3654841-B1 TARGETED OSMOTIC LYSIS OF MALIGNANT CANCER CELLS USING PULSED MAGNETIC FIELD GRADIENTS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIV (US) 2024-02-07 EP claimed
US-11654292-B2 Targeted osmotic lysis of malignant cancer cells using pulsed magnetic field gradients BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2023-05-23 US claimed
EP-3654841-A1 TARGETED OSMOTIC LYSIS OF MALIGNANT CANCER CELLS USING PULSED MAGNETIC FIELD GRADIENTS Board Of Supervisors Of Louisiana State University (US) 2020-05-27 EP claimed
US-20200147405-A1 TARGETED OSMOTIC LYSIS OF MALIGNANT CANCER CELLS USING PULSED MAGNETIC FIELD GRADIENTS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2020-05-14 US claimed
CN-111132614-A Targeted osmotic lysis of malignant cancer cells using pulsed magnetic field gradients 路易斯安娜州立大学监测委员会,农业和机械学院 2020-05-08 CN claimed
EP-2734214-B1 TARGETED OSMOTIC LYSIS OF CANCER CELLS UNIV LOUISIANA STATE (US) 2019-05-29 EP claimed
WO-2019018207-A1 TARGETED OSMOTIC LYSIS OF MALIGNANT CANCER CELLS USING PULSED MAGNETIC FIELD GRADIENTS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2019-01-24 WO claimed
US-20150080327-A1 Targeted Osmotic Lysis of Cancer Cells BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2015-03-19 US claimed
US-8921320-B2 Targeted osmotic lysis of cancer cells BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2014-12-30 US claimed
EP-2734214-A1 TARGETED OSMOTIC LYSIS OF CANCER CELLS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2014-05-28 EP claimed
US-20130184218-A1 Targeted Osmotic Lysis of Cancer Cells BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2013-07-18 US claimed
WO-2013012997-A1 TARGETED OSMOTIC LYSIS OF CANCER CELLS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2013-01-24 WO claimed
US-12533309-B2 Minoxidil adjuvant therapies CARING BRANDS, INC. (US) 2026-01-27 US disclosed
US-12527729-B2 Minoxidil adjuvant therapies CARING BRANDS, INC. (US) 2026-01-20 US disclosed
US-20250360128-A1 MINOXIDIL ADJUVANT THERAPIES JUPITER WELLNESS INC (US) 2025-11-27 US disclosed
US-20250213601-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR THE TREATMENT OF VIRAL DISEASES Didenko, Kirill (US) 2025-07-03 US disclosed
EP-0265519-A1 ELECTROCHEMILUMINESCENT ASSAYS. IGEN INC (US) 1988-05-04 EP disclosed
WO-1987006706-A1 ELECTROCHEMILUMINESCENT ASSAYS IGEN, INC. (US) 1987-11-05 WO disclosed
US-4604394-A Antiarrhythmic compositions and method MERCK & CO., INC. (US) 1986-08-05 US disclosed
EP-0181762-A2 Method for detecting enzymatic activity using particle agglutination E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-05-21 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12527729-B2 Minoxidil adjuvant therapies RXRA, RXRB, RXRG SMN1; SMN2 3818/4885TP53 3866/4885LMNA 3347/4885
US-20250213601-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR THE TREATMENT OF VIRAL DISEASES ACE2, FURIN, SARS1 SMN1; SMN2 831/4885TP53 3394/4885LMNA 1554/4885
US-12533309-B2 Minoxidil adjuvant therapies RXRG, RXRA, RXRB SMN1; SMN2 4574/4885TP53 1883/4885LMNA 4441/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.