Pantoprazole

Pantoprazole

SCHEMBL1995860

COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[nH]2)c1OC.O.[MgH2]

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Pantoprazole. 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
ATP4A known ✓ P20648 14/20 0.52
ATP4B known ✓ P51164 14/20 0.52
ADRA1A known ✓ P35348 1/20 0.52
CYP2C9 P11712 2/20 0.52
KDM4E B2RXH2 1/20 0.52
SLC22A2 O15244 1/20 0.52
DDAH1 O94760 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
ABCB1 P08183 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
FASN P49327 1/20 0.52
SLC47A2 Q86VL8 1/20 0.52
SLC47A1 Q96FL8 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.52
ATP1A1 P05023 7/20 0.44
ATP1B1 P05026 7/20 0.44

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
Pantoprazole SCHEMBL636218 1.00 ATP4A (0.52) ATP4AATP4BCYP2C9KDM4ESLC22A2
Pantoprazole SCHEMBL4640983 1.00 ATP4A (0.52) ATP4AATP4BCYP2C9KDM4ESLC22A2
Pantoprazole SCHEMBL6262319 0.99 ATP4A (0.53) ATP4AATP4BCYP2C9KDM4ESLC22A2
Pantoprazole SCHEMBL3179774 0.99 ATP4A (0.53) ATP4AATP4BCYP2C9KDM4ESLC22A2
Pantoprazole SCHEMBL4199906 0.99 ATP4A (0.53) ATP4AATP4BCYP2C9KDM4ESLC22A2
Pantoprazole SCHEMBL1716777 0.99 ATP4A (0.53) ATP4AATP4BCYP2C9KDM4ESLC22A2
Pantoprazole SCHEMBL1477291 0.98 ATP4A (0.52) ATP4AATP4BCYP2C9KDM4ESLC22A2
Pantoprazole SCHEMBL21986309 0.98 ATP4A (0.52) ATP4AATP4BCYP2C9KDM4ESLC22A2
Pantoprazole SCHEMBL1476428 0.98 ATP4A (0.52) ATP4AATP4BCYP2C9KDM4ESLC22A2
Pantoprazole SCHEMBL1476069 0.98 ATP4A (0.52) ATP4AATP4BCYP2C9KDM4ESLC22A2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012171540-A1 SUPPOSITORY COMPRISING PANTOPRAZOLE COMPRISED IN PELLETS WITH A CELLULOSE CORE BENE-ARZNEIMITTEL GMBH (DE) 2012-12-20 WO disclosed
US-20120301543-A1 SUPPOSITORY COMPRISING PANTOPRAZOLE BENEARZNEIMITTEL GMBH (DE) 2012-11-29 US disclosed
EP-2512445-A1 SUPPOSITORY COMPRISING PANTOPRAZOLE Bene-Arnzeimittel GmbH (DE) 2012-10-24 EP disclosed
EP-2338477-A1 Suppository comprising pantoprazole bene-Arzneimittel GmbH (DE) 2011-06-29 EP disclosed
WO-2011072861-A1 SUPPOSITORY COMPRISING PANTOPRAZOLE BENE-ARZNEIMITTEL GMBH (DE) 2011-06-23 WO disclosed
EP-1527066-A1 SALT OF (S)-PANTOPRAZOLE AND ITS HYDRATES ALTANA Pharma AG (DE) 2005-05-04 EP disclosed
WO-2005012289-A1 NOVEL SALT OF (R) - PANTOPRAZOLE ALTANA PHARMA AG (DE) 2005-02-10 WO disclosed
WO-2004013126-A1 SALT OF (S)-PANTOPRAZOLE AND ITS HYDRATES ALTANA PHARMA AG (DE) 2004-02-12 WO disclosed