Dihydrofolic Acid

Dihydrofolic Acid

SCHEMBL9637702

Nc1nc2c(c(=O)[nH]1)N=C(CNc1ccc(C(=O)NC(CCC(=O)[O-])C(=O)O)cc1)CN2.Nc1nc2c(c(=O)[nH]1)N=C(CNc1ccc(C(=O)NC(CCC(=O)[O-])C(=O)O)cc1)CN2.O.O.[Ca+2]

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 Dihydrofolic 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
TYMS known ✓ P04818 2/20 0.51
MEN1 known ✓ O00255 1/20 0.51
PTGS2 known ✓ P35354 1/20 0.51
DHFR known ✓ P00374 3/20 0.50
GART known ✓ P22102 4/20 0.47
SOST Q9BQB4 1/20 0.52
FPGS Q05932 2/20 0.52
LMNA P02545 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
AKR1B1 P15121 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MTHFD1 P11586 2/20 0.49
MTHFD2 P13995 1/20 0.47

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
Dihydrofolic Acid SCHEMBL10461597 0.99 SOST (0.53) SOSTFPGSLMNATYMSKDM4E
Dihydrofolic Acid SCHEMBL17080288 0.98 SOST (0.53) SOSTFPGSLMNATYMSKDM4E
Dihydrofolic Acid SCHEMBL31299576 0.98 SOST (0.53) SOSTFPGSLMNATYMSKDM4E
Dihydrofolic Acid SCHEMBL5159724 0.92 LMNA (0.57) SOSTFPGSLMNATYMSKDM4E
Dihydrofolic Acid SCHEMBL17080290 0.92 LMNA (0.57) SOSTFPGSLMNATYMSKDM4E
Dihydrofolic Acid SCHEMBL17080287 0.92 LMNA (0.57) SOSTFPGSLMNATYMSKDM4E
Dihydrofolic Acid SCHEMBL8282 0.92 SOST (0.61) SOSTFPGSTYMSKDM4EMEN1
Dihydrofolic Acid SCHEMBL27589172 0.92 SOST (0.61) SOSTFPGSTYMSKDM4EMEN1
Dihydrofolic Acid SCHEMBL12136386 0.92 SOST (0.61) SOSTFPGSTYMSKDM4EMEN1
Dihydrofolic Acid SCHEMBL8281 0.92 SOST (0.61) SOSTFPGSTYMSKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0355189-B1 PROCESS FOR THICKENING/DEWATERING SEWAGE SLUDGE Blum, Holger (DE) 1992-07-08 EP disclosed
EP-0355189-A1 Process for thickening/dewatering sewage sludge Blum, Holger (DE) 1990-02-28 EP disclosed