Iohexol

Iohexol

SCHEMBL8711982

CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I.[InH3]

nearest known ligand 0.97

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.97
HIF1A Q16665 1/20 0.97
LMNA P02545 4/20 0.93
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
MAP2K1 Q02750 7/20 0.32
MAP2K2 P36507 2/20 0.32
PRKCZ Q05513 1/20 0.32
IARS2 Q9NSE4 1/20 0.32
CYP2C9 P11712 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
Iohexol SCHEMBL26501 0.99 CYP2C19 (1.00) CYP2C19HIF1ALMNAEGFRSRC
Iohexol SCHEMBL8844889 0.99 CYP2C19 (1.00) CYP2C19HIF1ALMNAEGFRSRC
Iohexol SCHEMBL31722694 0.99 CYP2C19 (1.00) CYP2C19HIF1ALMNAEGFRSRC
Iohexol SCHEMBL37920 0.99 CYP2C19 (1.00) CYP2C19HIF1ALMNAEGFRSRC
Iodixanol SCHEMBL22645199 0.97 LMNA (0.97) CYP2C19HIF1ALMNAEGFRSRC
Iohexol SCHEMBL22719758 0.96 CYP2C19 (0.95) CYP2C19HIF1ALMNAEGFRSRC
Iohexol SCHEMBL3666605 0.96 CYP2C19 (0.95) CYP2C19HIF1ALMNAEGFRSRC
Iodixanol SCHEMBL21546 0.96 LMNA (1.00) CYP2C19HIF1ALMNAEGFRSRC
Iodixanol SCHEMBL8845042 0.96 LMNA (1.00) CYP2C19HIF1ALMNAEGFRSRC
Iodixanol SCHEMBL37712 0.96 LMNA (1.00) CYP2C19HIF1ALMNAEGFRSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729351-A4 VESICLES WITH CONTROLLED RELEASE OF ACTIVES DEPOTECH CORP (US) 1998-02-04 EP disclosed
EP-0729351-A1 VESICLES WITH CONTROLLED RELEASE OF ACTIVES DEPOTECH CORPORATION (US) 1996-09-04 EP disclosed
WO-1995013796-A1 VESICLES WITH CONTROLLED RELEASE OF ACTIVES DEPOTECH CORPORATION (US) 1995-05-26 WO disclosed