Acrylamide

Acrylamide

SCHEMBL9129476

C=CC(N)=O.NC(=O)NCO

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.55
ALDH1A1 P00352 4/20 0.55
FGFR4 P22455 1/20 0.55
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
NFKB1 P19838 2/20 0.30
LMNA P02545 2/20 0.30
CYP1A2 P05177 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
THPO P40225 1/20 0.30
CA2 P00918 1/20 0.30
CYP3A4 P08684 1/20 0.30
CA5A P35218 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
CA9 Q16790 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
Formaldehyde SCHEMBL9721282 0.84
SCHEMBL28308432 0.84 TDP1 (0.43) TSHRALDH1A1TDP1NFKB1LMNA
SCHEMBL183370 0.84
Acrylamide SCHEMBL7036616 0.83 TSHR (0.54) TSHRALDH1A1FGFR4TDP1MAPK1
Urea SCHEMBL27741984 0.81 TDP1 (0.39) TSHRALDH1A1TDP1NFKB1LMNA
SCHEMBL11304438 0.81
Urea SCHEMBL9721367 0.81 TDP1 (0.42) TSHRALDH1A1TDP1NFKB1LMNA
Ammonia Solution, Strong SCHEMBL27688189 0.81
Ammonia Solution, Strong SCHEMBL3199943 0.81
SCHEMBL27623209 0.81 TSHR (0.41) TSHRALDH1A1FGFR4TDP1MAPK1

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-5409798-A Base layer containing polymerizable compound, photosensitive layer capable of peeling development containing different polymerizable compound, layer-forming polymer, photoinitiator, peeling support layer CANON KABUSHIKI KAISHA (JP) 1995-04-25 US disclosed