Toluene

Toluene

SCHEMBL9903136

C#Cc1cc2ncccn2n1.Cc1ccccc1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
KDR P35968 8/20 0.35
PDGFRB P09619 6/20 0.35
PIK3CG P48736 1/20 0.33
HTR6 P50406 3/20 0.32
MAP4K4 O95819 2/20 0.32
PRKACA P17612 2/20 0.32
CDK8 P49336 2/20 0.32
LRRK2 Q5S007 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
MAPK14 Q16539 1/20 0.32
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
ACHE P22303 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
JAK2 O60674 1/20 0.31
ABL1 P00519 1/20 0.31

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
Benzene SCHEMBL1991469 0.89 APOBEC3A (0.51) APOBEC3AAPOBEC3GKDRPDGFRBPIK3CG
SCHEMBL3346983 0.86 APOBEC3A (0.40) APOBEC3AAPOBEC3GKDRPDGFRBPIK3CG
Pyridine SCHEMBL3347792 0.84 APOBEC3A (0.46) APOBEC3AAPOBEC3GMAP4K4PRKACACDK8
SCHEMBL3347528 0.82 APOBEC3A (0.42) APOBEC3AAPOBEC3GKDRPDGFRBMAP4K4
SCHEMBL3346197 0.81 APOBEC3A (0.37) APOBEC3AAPOBEC3GPIK3CGCDK8CLK4
SCHEMBL3348826 0.81 APOBEC3A (0.41) APOBEC3AAPOBEC3G
SCHEMBL3347037 0.79 APOBEC3A (0.42) APOBEC3AAPOBEC3GKDRMAP4K4PRKACA
SCHEMBL3345963 0.78 APOBEC3A (0.41) APOBEC3AAPOBEC3G
Cyclohexene SCHEMBL9903643 0.78 APOBEC3A (0.41) APOBEC3AAPOBEC3G
Toluene SCHEMBL9903320 0.78 MAP4K4 (0.40) MAP4K4LRRK2CLK4LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-07-12 US claimed
EP-2462142-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS Merz Pharma GmbH & Co. KGaA (DE) 2012-06-13 EP claimed
US-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-07-12 US disclosed
EP-2462142-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS Merz Pharma GmbH & Co. KGaA (DE) 2012-06-13 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS GRM5, GRIK5, GRM1 APOBEC3A 4593/4885APOBEC3G 4440/4885KDR 3634/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.