Edetic Acid

Edetic Acid

SCHEMBL9750195

Nc1ccccc1CN=C=S.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O

nearest known ligand 0.39

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MIF P14174 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TDP1 Q9NUW8 3/20 0.38
▸ EYA2 O00167 1/20 0.38
▸ APP P05067 1/20 0.38
▸ ACE P12821 1/20 0.38
▸ CA1 P00915 13/20 0.37
▸ CA2 P00918 13/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ DRD1 P21728 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37

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
Edetic Acid SCHEMBL7586652 0.81 MIF (0.62) TRPA1ALDH1A1CYP3A4MIFHPGD
Pentetic Acid SCHEMBL10361749 0.76 TDP1 (0.60) TDP1EYA2APPACECA1
SCHEMBL9705112 0.74 TDP1 (0.42) TDP1EYA2APPACECA1
Edetic Acid SCHEMBL5162768 0.72 MIF (0.57) MIFTDP1EYA2APPACE
SCHEMBL6680027 0.68 ALDH1A1 (0.50) TRPA1ALDH1A1CYP3A4MIFHPGD
SCHEMBL2141390 0.68 MIF (0.62) TRPA1ALDH1A1CYP3A4MIFHPGD
SCHEMBL29616337 0.68 MIF (0.62) TRPA1ALDH1A1CYP3A4MIFHPGD
Pentetic Acid SCHEMBL9440802 0.65 TDP1 (0.65) TDP1EYA2APPACECA1
Edetic Acid SCHEMBL17984124 0.65 TDP1 (0.61) TDP1EYA2APPACECA1
SCHEMBL641321 0.65 TDP1 (0.49) TDP1EYA2APPACECA1

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-0217577-B1 ANTIBODY COMPLEXES OF HAPTEN-MODIFIED DIAGNOSTIC OR THERAPEUTIC AGENTS HYBRITECH INCORPORATED (US) 1992-06-10 — — EP disclosed
EP-0217577-A2 Antibody complexes of hapten-modified diagnostic or therapeutic agents HYBRITECH INCORPORATED (US) 1987-04-08 — — EP disclosed
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