Ethyne

Ethyne

SCHEMBL7639211

C#C.C(=C1CCCC1)c1ccccc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
F3 P13726 1/20 0.47
HPGD P15428 3/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 4/20 0.45
HTT P42858 1/20 0.45
MGAM O43451 3/20 0.39
GAA P10253 3/20 0.39
SI P14410 3/20 0.39
MGAM2 Q2M2H8 3/20 0.39
MAPT P10636 3/20 0.38
MIF P14174 1/20 0.38
DPP7 Q9UHL4 1/20 0.37
MAOB P27338 1/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 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
SCHEMBL33499 0.95 CYP1A2 (0.50) CYP1A2F3HPGDLMNAALDH1A1
SCHEMBL6058990 0.93 CYP1A2 (0.48) CYP1A2F3HPGDLMNAALDH1A1
SCHEMBL36532 0.93 CYP1A2 (0.48) CYP1A2F3HPGDLMNAALDH1A1
SCHEMBL5925686 0.90 CYP1A2 (0.56) CYP1A2F3HPGDLMNAALDH1A1
Butadiene SCHEMBL19029452 0.86 CYP1A2 (0.44) CYP1A2F3HPGDLMNAALDH1A1
SCHEMBL10632138 0.85 CYP1A2 (0.52) CYP1A2F3HPGDLMNAALDH1A1
SCHEMBL63597 0.85 CYP1A2 (0.52) CYP1A2F3HPGDLMNAALDH1A1
SCHEMBL6837227 0.85 MAOB (0.58) CYP1A2F3HPGDLMNAALDH1A1
Styrene SCHEMBL43797 0.85 ALDH1A1 (0.58) CYP1A2F3HPGDLMNAALDH1A1
Styrene SCHEMBL38435 0.83 ALDH1A1 (0.56) CYP1A2F3HPGDLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5614078-A Method and apparatus for removing nitrates from water UPSCALE TECHNOLOGIES, INC. (US) 1997-03-25 US claimed
WO-1996038384-A1 METHOD AND APPARATUS FOR REMOVING NITRATES FROM WATER UPSCALE TECHNOLOGIES, INC. (US) 1996-12-05 WO claimed
CN-1395748-A Battery casing GILLETTE CO (US) 2003-02-05 CN disclosed
EP-1252666-A2 BATTERY CASING THE GILLETTE COMPANY (US) 2002-10-30 EP disclosed
US-6461763-B1 Battery cartridge THE GILLETTE COMPANY 2002-10-08 US disclosed
WO-2001052333-A2 BATTERY CASING THE GILLETTE COMPANY (US) 2001-07-19 WO disclosed
US-5614078-A Method and apparatus for removing nitrates from water UPSCALE TECHNOLOGIES, INC. (US) 1997-03-25 US disclosed
WO-1996038384-A1 METHOD AND APPARATUS FOR REMOVING NITRATES FROM WATER UPSCALE TECHNOLOGIES, INC. (US) 1996-12-05 WO disclosed