Edetic Acid

Edetic Acid

SCHEMBL8199947

NCCNc1cccc2c(S(=O)(=O)O)cccc12.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 12/20 0.48
▸ CA2 P00918 12/20 0.48
▸ CA4 P22748 5/20 0.47
▸ CYP1A2 P05177 1/20 0.45
▸ CA12 O43570 4/20 0.42
▸ CA9 Q16790 4/20 0.42
▸ CA3 P07451 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ IDO1 P14902 2/20 0.40
▸ TTR P02766 1/20 0.40
▸ HTR6 P50406 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
SCHEMBL29349851 0.86 CA12 (0.54) CA4CYP1A2CA12CA9CA3
SCHEMBL6254 0.86 CA12 (0.54) CA4CYP1A2CA12CA9CA3
Hydrochloric Acid SCHEMBL14833086 0.85 TSHR (0.55) CA4CYP1A2CA12CA9CA3
SCHEMBL3384286 0.85 CA12 (0.53) CA4CYP1A2CA12CA9CA3
SCHEMBL3384278 0.85 CA12 (0.53) CA4CYP1A2CA12CA9CA3
Water SCHEMBL29222618 0.84 CA12 (0.51) CA4CYP1A2CA12CA9CA3
Water SCHEMBL30987561 0.84 CA12 (0.51) CA4CYP1A2CA12CA9CA3
SCHEMBL30430296 0.82 TTR (0.44) CA4CYP1A2CA12CA9CA3
Isothiocyanate SCHEMBL8518639 0.79 CA12 (0.47) CA4CYP1A2CA12CA9CA3
SCHEMBL22793508 0.76 TTR (0.43) CA1CA2CA4CYP1A2CA12

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127139-A INCUBATING SAMPLE WITH AN IMMOBILIZED SUBSTRATE, OPTIONALLY SEPARATING THE LIQUID FROM THE CARRIER, IRRADIATING CARRIER AND MEASURING FLUORESCENCE NEDERLANDS ORGANISATLE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK (TNO) (NL) 2000-10-03 — — US disclosed
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