Edetic Acid

Edetic Acid

SCHEMBL7770892

Nc1nc(Cc2ccccc2)nc2[nH]cnc12.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O

nearest known ligand 0.37

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.37
ADORA2A P29274 2/20 0.37
ADORA2B P29275 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE8B O95263 1/20 0.36
DHPS P49366 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
CA1 P00915 6/20 0.34
CA2 P00918 6/20 0.34
CA4 P22748 2/20 0.34

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
SCHEMBL217337 0.86 ADORA1 (0.47) ADORA1ADORA2AADORA2BPDE4APDE4B
SCHEMBL28320162 0.76 HTR6 (0.38) ADORA1ADORA2AADORA2BPDE4APDE4B
SCHEMBL288235 0.74 ADORA1 (0.51) ADORA1ADORA2AADORA2BCYP1A2CYP3A4
SCHEMBL8592141 0.74 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C19PDE8BALDH1A1
SCHEMBL16146156 0.73 PDE4A (0.47) ADORA1PDE4APDE4BPDE4CPDE4D
SCHEMBL5091257 0.72 CYP2C19 (0.30) CYP2C19
SCHEMBL448638 0.72 CDC7 (0.37) ADORA1ADORA2AADORA2BPDE4APDE4B
SCHEMBL28320167 0.72 MPO (0.43) ADORA1ADORA2AADORA2BADORA3
SCHEMBL16146387 0.71 PDE4A (0.46) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL1422153 0.70 ALDH1A1 (0.47) ADORA1CYP2D6ALDH1A1DHFR

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