Toluene

Toluene

SCHEMBL27620404

Cc1ccccc1.Sc1ccccc1.[Ag]

nearest known ligand 0.65

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.65
TSHR P16473 2/20 0.65
LMNA P02545 2/20 0.65
ALOX12 P18054 1/20 0.65
HPGD P15428 3/20 0.40
TDP1 Q9NUW8 2/20 0.39
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
POLB P06746 2/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C19 P33261 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 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
Toluene SCHEMBL27258724 0.97 ACHE (0.69) ACHETSHRLMNAALOX12HPGD
Toluene SCHEMBL29098233 0.94 ACHE (0.65) ACHETSHRLMNAALOX12HPGD
Toluene SCHEMBL27747263 0.94 ACHE (0.65) ACHETSHRLMNAALOX12HPGD
Toluene SCHEMBL27875251 0.94 ACHE (0.65) ACHETSHRLMNAALOX12HPGD
P-Xylene SCHEMBL29155380 0.91 ACHE (0.59) ACHETSHRLMNAALOX12HPGD
Toluene SCHEMBL10710211 0.91 ACHE (0.69) ACHETSHRLMNAALOX12HPGD
Benzenethiol SCHEMBL6553066 0.88 ACHE (0.56) ACHETSHRLMNAALOX12HPGD
Toluene SCHEMBL28207707 0.88 ACHE (0.65) ACHETSHRLMNAALOX12HPGD
Toluene SCHEMBL10802247 0.88 ACHE (0.65) ACHETSHRLMNAALOX12HPGD
Toluene SCHEMBL27724946 0.87 ACHE (0.55) ACHETSHRLMNAALOX12HPGD

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-100408106-C Antimicrobial lenses displaying extended efficacy JOHNSON & JOHNSON VISION CARE (US) 2008-08-06 CN disclosed
CN-1741823-A Antimicrobial lenses displaying extended efficacy JOHNSON & JOHNSON VISION CARE (US) 2006-03-01 CN disclosed