Edetic Acid

Edetic Acid

SCHEMBL11053686

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

nearest known ligand 0.78

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Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Edetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A known ✓ P08913 1/20 0.74
TDP1 Q9NUW8 3/20 0.78
EYA2 O00167 1/20 0.78
APP P05067 1/20 0.78
ACE P12821 1/20 0.78
ALOX15 P16050 3/20 0.74
BLM P54132 2/20 0.74
PMP22 Q01453 2/20 0.74
TSHR P16473 2/20 0.74
CYP2C19 P33261 2/20 0.74
KDM4E B2RXH2 2/20 0.74
LMNA P02545 1/20 0.74
CHRM2 P08172 1/20 0.74
DRD1 P21728 1/20 0.74
SLC6A2 P23975 1/20 0.74
SLC6A4 P31645 1/20 0.74
ADRA1A P35348 1/20 0.74
DRD3 P35462 1/20 0.74
SLC6A3 Q01959 1/20 0.74
HRH3 Q9Y5N1 1/20 0.74

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 SCHEMBL247531 0.97 TDP1 (0.82) TDP1EYA2APPACEALOX15
Edetic Acid SCHEMBL30569658 0.97 TDP1 (0.82) TDP1EYA2APPACEALOX15
Edetic Acid SCHEMBL224117 0.97 TDP1 (0.82) TDP1EYA2APPACEALOX15
Edetic Acid SCHEMBL1363382 0.97 TDP1 (0.82) TDP1EYA2APPACEALOX15
Edetic Acid SCHEMBL10937476 0.94 TDP1 (0.78) TDP1EYA2APPACEALOX15
Edetic Acid SCHEMBL668797 0.94 TDP1 (0.78) TDP1EYA2APPACEALOX15
Edetic Acid SCHEMBL10632169 0.94 TDP1 (0.78) TDP1EYA2APPACEALOX15
Edetic Acid SCHEMBL2471967 0.94 TDP1 (0.78) TDP1EYA2APPACEALOX15
Edetic Acid SCHEMBL6418284 0.94 TDP1 (0.78) TDP1EYA2APPACEALOX15
Edetic Acid SCHEMBL10906870 0.94 TDP1 (0.78) TDP1EYA2APPACEALOX15

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-4488601-A Control of aluminum cross-linked polyacrylamides for sweep improvement THE STANDARD OIL COMPANY (US) 1984-12-18 US disclosed