Dihydrofolic Acid

Dihydrofolic Acid

SCHEMBL27779274

Nc1nc2c(c(=O)[nH]1)N=C(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CN2.[BH4-].[K+]

nearest known ligand 0.60

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Known targets — ChEMBL curated mechanism

AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA

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
PTGS2 known ✓ P35354 1/20 0.58
DHFR known ✓ P00374 3/20 0.57
GART known ✓ P22102 4/20 0.54
SOST Q9BQB4 1/20 0.60
TYMS P04818 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
POLB P06746 1/20 0.58
GAA P10253 1/20 0.58
AKR1B1 P15121 1/20 0.58
HPGD P15428 1/20 0.58
TSHR P16473 1/20 0.58
KMT2A Q03164 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MTHFD1 P11586 3/20 0.56
MTHFD2 P13995 2/20 0.54
ATIC P31939 3/20 0.53
FPGS Q05932 1/20 0.53

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 SCHEMBL8282 0.98 SOST (0.61) SOSTTYMSKDM4EMEN1ALDH1A1
Dihydrofolic Acid SCHEMBL12136386 0.98 SOST (0.61) SOSTTYMSKDM4EMEN1ALDH1A1
Dihydrofolic Acid SCHEMBL27589172 0.98 SOST (0.61) SOSTTYMSKDM4EMEN1ALDH1A1
Dihydrofolic Acid SCHEMBL8281 0.98 SOST (0.61) SOSTTYMSKDM4EMEN1ALDH1A1
Dihydrofolic Acid SCHEMBL27415499 0.98 SOST (0.60) SOSTTYMSKDM4EMEN1ALDH1A1
Dihydrofolic Acid SCHEMBL5159976 0.94 SOST (0.59) SOSTTYMSKDM4EMEN1ALDH1A1
Dihydrofolic Acid SCHEMBL29510656 0.93 TYMS (0.56) SOSTTYMSKDM4EMEN1ALDH1A1
Dihydrofolic Acid SCHEMBL28902275 0.93 SOST (0.56) SOSTTYMSKDM4EMEN1ALDH1A1
Dihydrofolic Acid SCHEMBL28796610 0.93 SOST (0.56) SOSTTYMSKDM4EMEN1ALDH1A1
Dihydrofolic Acid SCHEMBL31299576 0.91 SOST (0.53) SOSTTYMSKDM4EMEN1ALDH1A1

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
CN-101531661-B Preparation method of tetrahydrofolic acid Hubei Qinduankou Prison 2011-01-19 CN claimed
CN-101531661-A Preparation method of tetrahydrofolic acid Hubei Qinduankou Prison 2009-09-16 CN claimed
CN-101531661-B Preparation method of tetrahydrofolic acid Hubei Qinduankou Prison 2011-01-19 CN disclosed
CN-101531661-A Preparation method of tetrahydrofolic acid Hubei Qinduankou Prison 2009-09-16 CN disclosed