Edetic Acid

Edetic Acid

SCHEMBL7770900

Nc1ncnc2nc(Cc3ccccc3)[nH]c12.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 6/20 0.48
PI4K2B Q8TCG2 6/20 0.48
PI4K2A Q9BTU6 6/20 0.48
PI4KB Q9UBF8 6/20 0.48
LMNA P02545 1/20 0.47
ALDH1A1 P00352 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PNP P00491 1/20 0.46
APEX1 P27695 1/20 0.44
PRMT5 O14744 1/20 0.43
DNMT3B Q9UBC3 1/20 0.41
CYP3A4 P08684 1/20 0.40
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NUDT1 P36639 1/20 0.38

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
SCHEMBL870861 0.86 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL3306014 0.73 PNP (0.49) PI4KAPI4K2BPI4K2API4KBLMNA
Alcohol SCHEMBL28116206 0.69 PNP (0.54) PNP
SCHEMBL7575520 0.69 PNP (0.60) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL27648253 0.69 PNP (0.61) PNPPKMKDM4E
SCHEMBL870860 0.69 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL28037851 0.68 PNP (0.59) PNPCYP3A4PKMKDM4E
Edetic Acid SCHEMBL7770892 0.67 ADORA1 (0.37) ALDH1A1CYP3A4
SCHEMBL2900523 0.66 PNP (0.48) PI4KAPI4K2BPI4K2API4KBPNP
SCHEMBL27260776 0.65 PI4KA (0.66) PI4KAPI4K2BPI4K2API4KBLMNA

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-1121451-A1 METHOD FOR OBTAINING TRANSGENIC PLANTS EXPRESSING A PROTEIN WITH ACTIVITY PRODUCING HYDROGEN PEROXIDE BY TRANSFORMATION BY AGROBACTERIUM RHIZOGENES Biogemma (FR) 2001-08-08 EP disclosed
WO-2000022148-A1 METHOD FOR OBTAINING TRANSGENIC PLANTS EXPRESSING A PROTEIN WITH ACTIVITY PRODUCING HYDROGEN PEROXIDE BY TRANSFORMATION BY $i(AGROBACTERIUM RHIZOGENES) BIOGEMMA (FR) 2000-04-20 WO disclosed