Ethyne

Ethyne

SCHEMBL10359508

C#C.C=CC(C(=O)O)C(=O)O

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
BLM P54132 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.30
THRB P10828 1/20 0.30
RECQL P46063 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
Ethyne SCHEMBL18186431 1.00 LMNA (0.37) LMNATSHRSLC6A2SLC6A4BLM
SCHEMBL175982 0.94
SCHEMBL31299606 0.90 LMNA (0.39) LMNATSHRSLC6A2SLC6A4BLM
SCHEMBL28788958 0.90 LMNA (0.39) LMNATSHRSLC6A2SLC6A4BLM
Charcoal, Activated SCHEMBL8053844 0.90 LMNA (0.39) LMNATSHRSLC6A2SLC6A4BLM
Potassium SCHEMBL31299607 0.90 LMNA (0.39) LMNATSHRSLC6A2SLC6A4BLM
Lithium SCHEMBL31299622 0.90 LMNA (0.39) LMNATSHRSLC6A2SLC6A4BLM
SCHEMBL28238346 0.90 LMNA (0.39) LMNATSHRSLC6A2SLC6A4BLM
Boric Acid SCHEMBL28788886 0.85 LMNA (0.35) LMNATSHRSLC6A2SLC6A4BLM
Acetic Acid SCHEMBL27696979 0.85 FFAR3 (0.41) LMNATSHRSLC6A2SLC6A4BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0198892-B1 METHOD FOR PREPARING 1-HYDROXYVITAMIN D COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1990-12-27 EP claimed
EP-0198892-A4 METHOD FOR PREPARING 1-HYDROXYVITAMIN D COMPOUNDS. WISCONSIN ALUMNI RES FOUND (US) 1987-03-12 EP claimed
EP-0198892-A1 METHOD FOR PREPARING 1-HYDROXYVITAMIN D COMPOUNDS. WISCONSIN ALUMNI RES FOUND (US) 1986-10-29 EP claimed
WO-1986002649-A1 METHOD FOR PREPARING 1-HYDROXYVITAMIN D COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1986-05-09 WO claimed
US-4555364-A Method for preparing 1-hydroxyvitamin D compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1985-11-26 US claimed