P-Xylene

P-Xylene

SCHEMBL28217852

Cc1cc(Cl)c(C)cc1Cl.Cc1ccc(C)cc1.Cc1ccc(CF)cc1

nearest known ligand 0.38

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CD44 P16070 1/20 0.37
C3AR1 Q16581 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ALDH1A1 P00352 3/20 0.35
AGTR1 P30556 1/20 0.35
AGXT P21549 2/20 0.34
CYP3A4 P08684 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACHE P22303 1/20 0.33

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
P-Xylene SCHEMBL28217877 0.93 CYP3A4 (0.38) IDO1MEN1KMT2AC3AR1CYP1A2
SCHEMBL174063 0.82
P-Xylene SCHEMBL28885093 0.82 IDO1 (0.52) IDO1CYP1A2CYP2A6TAAR1ALDH1A1
SCHEMBL28760338 0.81 IDO1 (0.39) IDO1MEN1KMT2ACD44C3AR1
SCHEMBL2662792 0.78 S1PR1 (0.41) IDO1MEN1KMT2ACD44TAAR1
SCHEMBL9073026 0.78 CYP3A4 (0.46) IDO1ALDH1A1AGTR1CYP3A4MAPT
SCHEMBL12754477 0.75 IDO1 (0.46) IDO1MEN1KMT2ACYP1A2CYP2A6
SCHEMBL18553016 0.71 TAAR1 (0.45) C3AR1CYP1A2CYP2A6TAAR1ALDH1A1
SCHEMBL17934711 0.71 APAF1 (0.36) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL14397402 0.71 CYP3A4 (0.47) IDO1C3AR1ALDH1A1AGTR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108101027-B Large-area CVD graphene doping transfer method 重庆墨希科技有限公司 2020-01-31 CN disclosed
CN-108101027-A Large area CVD graphenes adulterate transfer method 重庆墨希科技有限公司 2018-06-01 CN disclosed