Glycoursodeoxycholic Acid

Glycoursodeoxycholic Acid

SCHEMBL2020307

C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CCC2C3C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)CC1C[C@H]3O.O.[Na+]

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Glycoursodeoxycholic Acid. 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
SLC10A2 known ✓ Q12908 4/20 0.71
MEN1 known ✓ O00255 2/20 0.70
CHRM2 known ✓ P08172 1/20 0.70
ADRA2A known ✓ P08913 1/20 0.70
ADRA1A known ✓ P35348 1/20 0.70
GPBAR1 Q8TDU6 11/20 0.82
NR1H4 Q96RI1 6/20 0.82
ABCB11 O95342 5/20 0.82
ENPP2 Q13822 3/20 0.82
NR3C1 P04150 1/20 0.73
ABCC4 O15439 1/20 0.71
PLA2G1B P04054 1/20 0.71
KMT2A Q03164 3/20 0.70
LMNA P02545 1/20 0.70
CYP2C19 P33261 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
SLC10A1 Q14973 1/20 0.70
CISD1 Q9NZ45 1/20 0.70
CYP3A4 P08684 1/20 0.70
CA1 P00915 1/20 0.66

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
Glycoursodeoxycholic Acid SCHEMBL7206212 0.99 GPBAR1 (0.83) GPBAR1NR1H4ABCB11ENPP2NR3C1
Glycoursodeoxycholic Acid SCHEMBL29366725 0.99 GPBAR1 (0.83) GPBAR1NR1H4ABCB11ENPP2NR3C1
Glycoursodeoxycholic Acid SCHEMBL61042 0.99 GPBAR1 (0.83) GPBAR1NR1H4ABCB11ENPP2NR3C1
Glycoursodeoxycholic Acid SCHEMBL178105 0.97 GPBAR1 (0.83) GPBAR1NR1H4ABCB11ENPP2NR3C1
Glycoursodeoxycholic Acid SCHEMBL935341 0.90 GPBAR1 (1.00) GPBAR1NR1H4ABCB11ENPP2NR3C1
Glycoursodeoxycholic Acid SCHEMBL9151495 0.90 GPBAR1 (1.00) GPBAR1NR1H4ABCB11ENPP2NR3C1
Glycoursodeoxycholic Acid SCHEMBL59881 0.90 GPBAR1 (1.00) GPBAR1NR1H4ABCB11ENPP2NR3C1
Glycoursodeoxycholic Acid SCHEMBL12917601 0.90 GPBAR1 (1.00) GPBAR1NR1H4ABCB11ENPP2NR3C1
Glycochenodeoxycholate SCHEMBL236354 0.90 GPBAR1 (1.00) GPBAR1NR1H4ABCB11ENPP2NR3C1
SCHEMBL19104663 0.90 GPBAR1 (0.86) GPBAR1NR1H4ABCB11ENPP2NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110159087-A1 Crosslinked Polymers USV LIMITED (IN) 2011-06-30 US claimed
WO-2010041268-A2 CROSSLINKED POLYMERS USV LIMITED (IN) 2010-04-15 WO claimed
US-20110159087-A1 Crosslinked Polymers USV LIMITED (IN) 2011-06-30 US disclosed
WO-2010041268-A2 CROSSLINKED POLYMERS USV LIMITED (IN) 2010-04-15 WO 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 (1 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-20110159087-A1 Crosslinked Polymers SLC10A1, CETP, SLC10A2 SLC10A2 3/4885MEN1 3759/4885CHRM2 2878/4885

“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.