Methane

Methane

SCHEMBL10700573

C.CC(C)c1ncccc1O

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.48
GABRB2 P47870 2/20 0.48
ALDH1A1 P00352 4/20 0.43
TSHR P16473 3/20 0.43
HDAC8 Q9BY41 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CHRM1 P11229 2/20 0.43
ADRA1A P35348 2/20 0.43
MMP2 P08253 1/20 0.43
COMT P21964 1/20 0.43
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
IDO1 P14902 1/20 0.40
KDM4E B2RXH2 6/20 0.39
HPGD P15428 3/20 0.39
HTT P42858 3/20 0.38
SLC6A2 P23975 3/20 0.38
KMT2A Q03164 1/20 0.38
ALOX12 P18054 2/20 0.37
PDK2 Q15119 1/20 0.37

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
SCHEMBL31155959 0.98 GABRA1 (0.50) GABRA1GABRB2ALDH1A1TSHRHDAC8
SCHEMBL364693 0.98 GABRA1 (0.50) GABRA1GABRB2ALDH1A1TSHRHDAC8
SCHEMBL30853079 0.84 ALDH1A1 (0.42) GABRA1GABRB2ALDH1A1TSHRHDAC8
SCHEMBL27763192 0.83 ALDH1A1 (0.41) GABRA1GABRB2ALDH1A1TSHRHDAC8
SCHEMBL18361548 0.83 ALDH1A1 (0.41) GABRA1GABRB2ALDH1A1TSHRHDAC8
SCHEMBL1333769 0.79 ALDH1A1 (0.38) GABRA1GABRB2ALDH1A1TSHRHDAC8
SCHEMBL6667522 0.79 HSD17B10 (0.40) GABRA1GABRB2ALDH1A1TSHRHDAC8
SCHEMBL9627663 0.79 ALDH1A1 (0.45) GABRA1GABRB2ALDH1A1TSHRHDAC8
SCHEMBL5801755 0.78 ALDH1A1 (0.37) GABRA1GABRB2ALDH1A1TSHRHDAC8
SCHEMBL28383990 0.77 L3MBTL1 (0.43) GABRA1GABRB2ALDH1A1TSHRHDAC8

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
EP-0291673-A1 Tetrahydropyridine oximes, a process for their preparation and use thereof as cholinergic agents WARNER-LAMBERT COMPANY (US) 1988-11-23 EP disclosed