Tetrahydrofolate

Tetrahydrofolate

SCHEMBL3404283

Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2.O.O

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Tetrahydrofolate. 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
▸ GART known ✓ P22102 4/20 0.57
▸ DHFR known ✓ P00374 2/20 0.57
▸ MEN1 known ✓ O00255 1/20 0.51
▸ TYMS known ✓ P04818 1/20 0.51
▸ PTGS2 known ✓ P35354 1/20 0.51
▸ SOST Q9BQB4 1/20 0.77
▸ FPGS Q05932 2/20 0.69
▸ ATIC P31939 2/20 0.59
▸ MTHFD1 P11586 2/20 0.53
▸ MTHFD2 P13995 1/20 0.51
▸ 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

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
Tetrahydrofolate SCHEMBL15263902 0.99 SOST (0.78) SOSTFPGSATICGARTDHFR
Tetrahydrofolate SCHEMBL4535490 0.99 SOST (0.78) SOSTFPGSATICGARTDHFR
Tetrahydrofolate SCHEMBL21194977 0.99 SOST (0.78) SOSTFPGSATICGARTDHFR
Tetrahydrofolate SCHEMBL8031 0.99 SOST (0.78) SOSTFPGSATICGARTDHFR
Tetrahydrofolate SCHEMBL159230 0.99 SOST (0.78) SOSTFPGSATICGARTDHFR
Tetrahydrofolate SCHEMBL6880950 0.99 SOST (0.78) SOSTFPGSATICGARTDHFR
Tetrahydrofolate SCHEMBL82453 0.99 SOST (0.78) SOSTFPGSATICGARTDHFR
Tetrahydrofolate SCHEMBL3445556 0.98 SOST (0.77) SOSTFPGSATICGARTDHFR
Tetrahydrofolate SCHEMBL21248600 0.98 SOST (0.77) SOSTFPGSATICGARTDHFR
Tetrahydrofolate SCHEMBL19376762 0.98 SOST (0.77) SOSTFPGSATICGARTDHFR

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-2254890-A1 PROCESS FOR THE DIASTEREOISOMERIC RESOLUTION OF 5-METHYLTETRAHYDROFOLIC ACID Gnosis S.p.A. (IT) 2010-12-01 — — EP disclosed
WO-2009103333-A1 PROCESS FOR THE DIASTEREOISOMERIC RESOLUTION OF 5-METHYLTETRAHYDROFOLIC ACID GNOSIS S.P.A. (IT) 2009-08-27 — — WO disclosed
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