Methane

Methane

SCHEMBL28050980

C.C.c1ccc2c(c1)ccc1c3c(ccc12)CCCC3

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.52
KIF11 P52732 1/20 0.47
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
MAPT P10636 1/20 0.45
ACHE P22303 1/20 0.45
SLC6A2 P23975 1/20 0.45
AHR P35869 1/20 0.45
HSD17B10 Q99714 2/20 0.44
TSHR P16473 2/20 0.44
CYP2A6 P11509 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NQO1 P15559 2/20 0.40
PAX8 Q06710 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 1/20 0.39

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
Methane SCHEMBL27344004 1.00 HPRT1 (0.52) HPRT1KIF11ALDH1A1CYP1A2LCK
Benzene SCHEMBL28099801 0.98 HPRT1 (0.50) HPRT1KIF11ALDH1A1CYP1A2LCK
SCHEMBL30928215 0.98 HPRT1 (0.54) HPRT1KIF11ALDH1A1CYP1A2LCK
SCHEMBL28077721 0.98 HPRT1 (0.54) HPRT1KIF11ALDH1A1CYP1A2LCK
Chrysene SCHEMBL27616409 0.98 HPRT1 (0.54) HPRT1KIF11ALDH1A1CYP1A2LCK
SCHEMBL27740850 0.98 HPRT1 (0.54) HPRT1KIF11ALDH1A1CYP1A2LCK
Phenanthrene SCHEMBL27372954 0.98 HPRT1 (0.54) HPRT1KIF11ALDH1A1CYP1A2LCK
SCHEMBL2089665 0.98 HPRT1 (0.54) HPRT1KIF11ALDH1A1CYP1A2LCK
SCHEMBL21176632 0.98 HPRT1 (0.54) HPRT1KIF11ALDH1A1CYP1A2LCK
SCHEMBL31490440 0.96 HPRT1 (0.52) HPRT1KIF11ALDH1A1CYP1A2LCK

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-105431403-A Method for treating carbon-containing raw material CIRIS ENERGY INC 2016-03-23 CN disclosed