Sugi Predict

Sugi Predict / Compounds / Edetic Acid

Edetic Acid

Edetic Acid

SCHEMBL5073281

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.O=P(O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.58
▸ EYA2 O00167 1/20 0.58
▸ APP P05067 1/20 0.58
▸ ACE P12821 1/20 0.58
▸ BLM P54132 3/20 0.56
▸ PMP22 Q01453 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ CHRM2 P08172 1/20 0.56
▸ ADRA2A P08913 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ DRD1 P21728 1/20 0.56
▸ SLC6A2 P23975 1/20 0.56
▸ SLC6A4 P31645 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ ADRA1A P35348 1/20 0.56
▸ DRD3 P35462 1/20 0.56
▸ SLC6A3 Q01959 1/20 0.56
▸ HRH3 Q9Y5N1 1/20 0.56

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 SCHEMBL3881110 1.00 TDP1 (0.58) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL7125051 0.91 TDP1 (0.64) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL28108506 0.89 TDP1 (0.61) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL23035771 0.84 TDP1 (0.54) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL3881101 0.82 TDP1 (0.78) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL57815 0.82 TDP1 (0.78) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL14632752 0.80 TDP1 (0.74) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL12275301 0.80 TDP1 (0.74) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL28036095 0.80 TDP1 (0.74) TDP1EYA2APPACEBLM
Pentetic Acid SCHEMBL6913169 0.80 TDP1 (0.79) TDP1EYA2APPACEBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1898928-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2008-03-19 — — EP disclosed
EP-1898927-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2008-03-19 — — EP disclosed
WO-2007002458-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-01-04 — — WO disclosed
WO-2007002481-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-01-04 — — WO disclosed