Methane

Methane

SCHEMBL28148285

C.CCCNC(CCO)C(=O)O

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 2/20 0.41
NOD1 Q9Y239 2/20 0.38
CHRM1 P11229 1/20 0.37
AKR1A1 P14550 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
TGFBR1 P36897 2/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32

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
SCHEMBL6552817 0.98 GGT1 (0.42) GGT1NOD1CHRM1AKR1A1CHRM3
SCHEMBL29372593 0.98 GGT1 (0.42) GGT1NOD1CHRM1AKR1A1CHRM3
Phosphine SCHEMBL28013169 0.96 GGT1 (0.41) GGT1NOD1CHRM1AKR1A1CHRM3
SCHEMBL28094429 0.96 GGT1 (0.41) GGT1NOD1CHRM1AKR1A1CHRM3
Potassium SCHEMBL30918640 0.96 GGT1 (0.41) GGT1NOD1CHRM1AKR1A1CHRM3
SCHEMBL28160153 0.96 GGT1 (0.41) GGT1NOD1CHRM1AKR1A1CHRM3
Bromide SCHEMBL30125547 0.96 GGT1 (0.41) GGT1NOD1CHRM1AKR1A1CHRM3
Hydrochloric Acid SCHEMBL28099524 0.96 GGT1 (0.41) GGT1NOD1CHRM1AKR1A1CHRM3
Formaldehyde SCHEMBL28834521 0.94 GGT1 (0.40) GGT1NOD1CHRM1AKR1A1CHRM3
Oxalic Acid SCHEMBL28153178 0.94 GGT1 (0.40) GGT1NOD1CHRM1AKR1A1CHRM3

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
CN-106770551-A A kind of electrochemical sensor of quick measure carbendazim, preparation method and the application in carbendazim is determined 信阳师范学院 2017-05-31 CN disclosed