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Edatrexate

Edatrexate

SCHEMBL20769788

CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1.CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 13/20 1.00
▸ FOLR1 P15328 2/20 0.82
▸ SLC19A1 P41440 2/20 0.82
▸ SLC46A1 Q96NT5 2/20 0.82
▸ KDM4E B2RXH2 1/20 0.70
▸ TLR4 O00206 1/20 0.70
▸ MEN1 O00255 1/20 0.70
▸ ALDH1A1 P00352 1/20 0.70
▸ LMNA P02545 1/20 0.70
▸ TP53 P04637 1/20 0.70
▸ TYMS P04818 1/20 0.70
▸ GLA P06280 1/20 0.70
▸ POLB P06746 1/20 0.70
▸ HMGB1 P09429 1/20 0.70
▸ MAPT P10636 1/20 0.70
▸ FOLR2 P14207 1/20 0.70
▸ HPGD P15428 1/20 0.70
▸ ALOX15 P16050 1/20 0.70
▸ ALOX12 P18054 1/20 0.70
▸ GART P22102 1/20 0.70

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
Edatrexate SCHEMBL29352085 1.00 DHFR (1.00) DHFRFOLR1SLC19A1SLC46A1KDM4E
Edatrexate SCHEMBL1650127 1.00 DHFR (1.00) DHFRFOLR1SLC19A1SLC46A1KDM4E
Edatrexate SCHEMBL4676 1.00 DHFR (1.00) DHFRFOLR1SLC19A1SLC46A1KDM4E
Pralatrexate SCHEMBL21633 0.90 DHFR (1.00) DHFRFOLR1SLC19A1SLC46A1KDM4E
Pralatrexate SCHEMBL29904921 0.90 DHFR (1.00) DHFRFOLR1SLC19A1SLC46A1KDM4E
Pralatrexate SCHEMBL29904925 0.90 DHFR (1.00) DHFRFOLR1SLC19A1SLC46A1KDM4E
Pralatrexate SCHEMBL15075302 0.90 DHFR (1.00) DHFRFOLR1SLC19A1SLC46A1KDM4E
Pralatrexate SCHEMBL1889869 0.90 DHFR (1.00) DHFRFOLR1SLC19A1SLC46A1KDM4E
Pralatrexate SCHEMBL2336143 0.90 DHFR (1.00) DHFRFOLR1SLC19A1SLC46A1KDM4E
Pralatrexate SCHEMBL29355142 0.90 DHFR (1.00) DHFRFOLR1SLC19A1SLC46A1KDM4E

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-3675838-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS Puretecch LYT, Inc. (US) 2020-07-08 — — EP disclosed
WO-2019046491-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS ARIYA THERAPEUTICS, INC. (US) 2019-03-07 — — WO disclosed