Ethyne

Ethyne

SCHEMBL5281127

C#C.CN(C)c1cc2cc-2c1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
ALDH1A1 P00352 5/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TERT O14746 1/20 0.33
APP P05067 1/20 0.33
TP53 P04637 1/20 0.33
CHRM5 P08912 1/20 0.33
CHKA P35790 1/20 0.33
NOTUM Q6P988 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
SCHEMBL3789995 0.82 TSHR (0.39) TSHRALDH1A1ALOX15HSD17B10CYP3A4
SCHEMBL1760716 0.75 TSHR (0.57) TSHRALDH1A1ALOX15HSD17B10CYP3A4
SCHEMBL3785049 0.66 ALDH1A1 (0.54) TSHRALDH1A1ALOX15HSD17B10CYP3A4
SCHEMBL24960564 0.66 MAPK1 (0.42) TSHRALDH1A1HSD17B10MAPK1TDP1
SCHEMBL17789228 0.66 ALDH1A1 (0.56) TSHRALDH1A1ALOX15HSD17B10CYP3A4
SCHEMBL30602821 0.65 ALDH1A1 (0.58) TSHRALDH1A1ALOX15HSD17B10MAPT
SCHEMBL5642382 0.65 ALDH1A1 (0.50) TSHRALDH1A1ALOX15HSD17B10CYP3A4
SCHEMBL16378768 0.64 ALDH1A1 (0.50) TSHRALDH1A1HSD17B10MAPTSMN1; SMN2
SCHEMBL24023738 0.63 TSHR (0.37) TSHRALDH1A1ALOX15HSD17B10TERT
Hydrochloric Acid SCHEMBL2855511 0.62 TSHR (0.48) TSHRALDH1A1ALOX15HSD17B10CYP3A4

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-1856515-A1 ELECTRIC DEVICE FOR DETERMINING GASEOUS SUBSTANCES COMPRISING AN ORGANIC MONOLAYER AS THE SENSING LAYER Dani Instruments S.p.A. (IT) 2007-11-21 EP disclosed
WO-2006089719-A1 ELECTRIC DEVICE FOR DETERMINING GASEOUS SUBSTANCES COMPRISING AN ORGANIC MONOLAYER AS THE SENSING LAYER DANI INSTRUMENTS S.P.A. (IT) 2006-08-31 WO disclosed
US-20060191791-A1 Electric device for determining aeriform substances DANI INSTRUMENTS S.P.A. (IT) 2006-08-31 US disclosed