Methane

Methane

SCHEMBL23291301

C.NCCc1ccc(N)cc1

nearest known ligand 0.80

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.72
LOXL2 Q9Y4K0 3/20 0.60
TAAR1 Q96RJ0 8/20 0.59
MAOB P27338 4/20 0.59
HTR2A P28223 3/20 0.59
CYP2A6 P11509 2/20 0.59
MAOA P21397 2/20 0.59
ALDH1A1 P00352 2/20 0.59
CYP1A2 P05177 1/20 0.59
KDM4E B2RXH2 1/20 0.59
HTR1A P08908 1/20 0.59
ADRA2A P08913 1/20 0.59
SLC6A2 P23975 1/20 0.59
CYP2C19 P33261 1/20 0.59
HTR3A P46098 1/20 0.59
BACE1 P56817 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.57
TDP1 Q9NUW8 2/20 0.56
BLM P54132 1/20 0.56

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
SCHEMBL143553 0.97 GFER (0.77) GFERLOXL2TAAR1MAOBHTR2A
Ammonia Solution, Strong SCHEMBL28618283 0.94 GFER (0.72) GFERLOXL2TAAR1MAOBHTR2A
Hydrochloric Acid SCHEMBL3175945 0.94 GFER (0.72) GFERLOXL2TAAR1MAOBHTR2A
Hydrochloric Acid SCHEMBL1879353 0.94 GFER (0.72) GFERLOXL2TAAR1MAOBHTR2A
Ethane SCHEMBL23291175 0.92 GFER (0.68) GFERLOXL2TAAR1MAOBHTR2A
SCHEMBL17154336 0.89 ALDH1A1 (0.74) GFERLOXL2TAAR1MAOBHTR2A
SCHEMBL16544040 0.89 GFER (0.65) GFERLOXL2TAAR1MAOBHTR2A
SCHEMBL224548 0.87 TAAR1 (0.72) GFERLOXL2TAAR1MAOBHTR2A
SCHEMBL8356905 0.85 TAAR1 (0.86) GFERLOXL2TAAR1MAOBHTR2A
Hydrochloric Acid SCHEMBL3168355 0.84 BLM (0.74) GFERLOXL2TAAR1MAOBHTR2A

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-3814356-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS Zhejiang Vimgreen Pharmaceuticals, Ltd (CN) 2021-05-05 EP disclosed