Diethylaminoethanol

Diethylaminoethanol

SCHEMBL4329109

CCN(CC)CCO.CN(C)C(C)(C)CO

nearest known ligand 0.39

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
HIF1A Q16665 2/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 2/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.35
CYP2D6 P10635 2/20 0.34
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
SCN1A P35498 1/20 0.32
KMT2A Q03164 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31

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
Dimethylaminoethanol SCHEMBL9079790 0.79 MAPT (0.60) MAPT
SCHEMBL8978 0.78
Diethylaminoethanol SCHEMBL3114 0.78
Diethylaminoethanol SCHEMBL10699915 0.78
Diethylaminoethanol SCHEMBL10476578 0.77 CYP1A2 (0.42) CYP1A2HIF1AHPGDMAPK1CYP2C9
Diethylaminoethanol SCHEMBL20293885 0.75
Diethylaminoethanol SCHEMBL20815437 0.75
Trolamine SCHEMBL22749413 0.75 CYP1A2 (0.52) CYP1A2HIF1AHPGDMAPK1CYP2C9
Diethylaminoethanol SCHEMBL3296548 0.75
Diethylaminoethanol SCHEMBL8786270 0.75

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-2090624-B1 Ink set for inkjet recording and image recording method FUJIFILM CORP (JP) 2013-01-23 EP disclosed
EP-2090624-A1 Ink set for inkjet recording and image recording method FUJIFILM Corporation (JP) 2009-08-19 EP disclosed