Propiolic Acid

Propiolic Acid

SCHEMBL28458053

C#CC(=O)O.CCCCc1ncc[nH]1

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.55
HRH4 Q9H3N8 2/20 0.38
TAAR1 Q96RJ0 4/20 0.38
HTR1A P08908 1/20 0.38
TERT O14746 1/20 0.37
CXCR4 P61073 1/20 0.36
FDPS P14324 1/20 0.36
NAMPT P43490 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
HCAR3 P49019 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35

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
Propiolic Acid SCHEMBL28461909 0.94 TBXAS1 (0.60) TBXAS1HRH4TAAR1HTR1ATERT
Acetic Acid SCHEMBL28627407 0.87 TBXAS1 (0.61) TBXAS1HRH4TAAR1HTR1ATERT
Propionic Acid SCHEMBL28634239 0.86 TBXAS1 (0.64) TBXAS1HRH4TAAR1HTR1ATERT
Acetic Acid SCHEMBL28871346 0.86 TBXAS1 (0.62) TBXAS1HRH4TAAR1HTR1ATERT
Benzene SCHEMBL28150538 0.84 TBXAS1 (0.54) TBXAS1HRH4TAAR1HTR1ATERT
SCHEMBL81566 0.83
Valeric Acid SCHEMBL28634371 0.83 TBXAS1 (0.74) TBXAS1HRH4MEN1ALDH1A1ALOX15
Butyric Acid SCHEMBL27339275 0.83 TBXAS1 (0.69) TBXAS1HRH4TAAR1HTR1ATERT
Hexanoate SCHEMBL28631635 0.82 TBXAS1 (0.77) TBXAS1MEN1ALDH1A1MAPTALOX15
SCHEMBL2370829 0.82 TBXAS1 (0.51) TBXAS1TAAR1HTR1ATERTFDPS

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
CN-111714691-B Preparation method of antibacterial hydrogel dressing containing imidazolium salt and hyaluronic acid 常州大学 2021-10-22 CN disclosed
CN-111714691-A Preparation method of antibacterial hydrogel dressing containing imidazolium salt and hyaluronic acid 常州大学 2020-09-29 CN disclosed