Leucovorin

Leucovorin

SCHEMBL4744838

Nc1nc2c(c(=O)[nH]1)N(C=O)C(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CN2.O.O.O.O.O

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

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

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHFR known ✓ P00374 1/20 0.98
TYMS known ✓ P04818 1/20 0.55
GART known ✓ P22102 5/20 0.54
LMNA P02545 1/20 0.78
MTHFD1 P11586 2/20 0.70
SOST Q9BQB4 1/20 0.66
MTHFD2 P13995 2/20 0.61
FPGS Q05932 2/20 0.59
ATIC P31939 3/20 0.54

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
Levoleucovorin SCHEMBL639769 0.99 DHFR (1.00) DHFRLMNAMTHFD1SOSTMTHFD2
Folinic Acid SCHEMBL29616563 0.99 DHFR (1.00) DHFRLMNAMTHFD1SOSTMTHFD2
Leucovorin SCHEMBL258832 0.99 DHFR (1.00) DHFRLMNAMTHFD1SOSTMTHFD2
Leucovorin SCHEMBL29379632 0.99 DHFR (1.00) DHFRLMNAMTHFD1SOSTMTHFD2
Leucovorin SCHEMBL3031362 0.99 DHFR (1.00) DHFRLMNAMTHFD1SOSTMTHFD2
Leucovorin SCHEMBL36113 0.99 DHFR (1.00) DHFRLMNAMTHFD1SOSTMTHFD2
Leucovorin SCHEMBL4575698 0.99 DHFR (1.00) DHFRLMNAMTHFD1SOSTMTHFD2
Leucovorin SCHEMBL29385578 0.99 DHFR (1.00) DHFRLMNAMTHFD1SOSTMTHFD2
Folinic Acid SCHEMBL21498299 0.99 DHFR (1.00) DHFRLMNAMTHFD1SOSTMTHFD2
Leucovorin SCHEMBL159828 0.99 DHFR (1.00) DHFRLMNAMTHFD1SOSTMTHFD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008109349-A1 IMPROVED REGIMEN FOR TREATING CANCER WITH 5-FLUOROURACIL, 5,10-METHYLENETETRAHYDROFOLATE AND CAPECITABINE ADVENTRX PHARMACEUTICALS, INC. (US) 2008-09-12 WO disclosed