Folitixorin

Folitixorin

SCHEMBL9430909

Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)C[C@@H]1CN2.O=S(=O)(O)O

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Folitixorin. 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
MTHFD2 P13995 2/20 0.70
MTHFD1 P11586 2/20 0.70
DHFR P00374 2/20 0.58
MTR Q99707 1/20 0.57
GART P22102 6/20 0.54
SOST Q9BQB4 1/20 0.54
ATIC P31939 4/20 0.54
TYMS P04818 1/20 0.52
FPGS Q05932 1/20 0.48

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
Folitixorin SCHEMBL5499355 1.00 MTHFD2 (0.70) MTHFD2MTHFD1DHFRMTRGART
Arfolitixorin SCHEMBL29551275 1.00 MTHFD2 (0.70) MTHFD2MTHFD1DHFRMTRGART
Folitixorin SCHEMBL3180668 0.97 MTHFD2 (0.74) MTHFD2MTHFD1DHFRMTRGART
Folitixorin SCHEMBL16467076 0.97 MTHFD2 (0.74) MTHFD2MTHFD1DHFRMTRGART
Folitixorin SCHEMBL50782 0.97 MTHFD2 (0.74) MTHFD2MTHFD1DHFRMTRGART
Folitixorin SCHEMBL4108452 0.97 MTHFD2 (0.74) MTHFD2MTHFD1DHFRMTRGART
Arfolitixorin SCHEMBL186747 0.97 MTHFD2 (0.74) MTHFD2MTHFD1DHFRMTRGART
Folitixorin SCHEMBL258730 0.97 MTHFD2 (0.74) MTHFD2MTHFD1DHFRMTRGART
Arfolitixorin SCHEMBL29616436 0.97 MTHFD2 (0.74) MTHFD2MTHFD1DHFRMTRGART
Folitixorin SCHEMBL4537420 0.96 MTHFD2 (0.73) MTHFD2MTHFD1DHFRMTRGART

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
US-5300505-A Stable salts of 5,10-methylenetetrahydrofolic acid EPROVA AKTIENGESELLSCHAFT (CH) 1994-04-05 US claimed
US-5300505-A Stable salts of 5,10-methylenetetrahydrofolic acid EPROVA AKTIENGESELLSCHAFT (CH) 1994-04-05 US disclosed