Transtorine

Transtorine

SCHEMBL7937597

O=C([O-])c1cc(O)c2ccccc2n1.O=C([O-])c1cc(O)c2ccccc2n1.O=C([O-])c1cc(O)c2ccccc2n1.[Al+3]

nearest known ligand 0.44

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 2/20 0.44
MYC P01106 1/20 0.42
MAX P61244 1/20 0.42
MGAM O43451 1/20 0.41
GRM2 Q14416 4/20 0.40
THRB P10828 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 4/20 0.39
POLB P06746 3/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GFER P55789 2/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 3/20 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
Transtorine SCHEMBL22979 0.84 ALOX15 (0.60) ALDH1A1ALOX15MYCMAXMGAM
Transtorine SCHEMBL17596601 0.84 ALOX15 (0.60) ALDH1A1ALOX15MYCMAXMGAM
Transtorine SCHEMBL480985 0.82 ALOX15 (0.58) ALDH1A1ALOX15MYCMAXMGAM
Transtorine SCHEMBL1421892 0.82 ALOX15 (0.58) ALDH1A1ALOX15MYCMAXMGAM
SCHEMBL247555 0.81 GRM2 (0.59) ALDH1A1GRM2
SCHEMBL17718271 0.81 ALDH1A1 (0.49) ALDH1A1ALOX15MYCMAXMGAM
Hydrochloric Acid SCHEMBL17769122 0.79 GRM2 (0.57) ALDH1A1GRM2
SCHEMBL561686 0.77 KDM4E (0.54) ALDH1A1ALOX15HPGDHSD17B10KDM4E
SCHEMBL31389316 0.77 KDM4E (0.54) ALDH1A1ALOX15HPGDHSD17B10KDM4E
SCHEMBL9667786 0.76 GRM2 (0.43) ALDH1A1ALOX15MYCMAXGRM2

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
US-6245449-B1 LIGHT EMITTER LAYERS OR ORGANIC COMPOUNDS, THIN LAYERS AND ELECTRODES, ANODES AND CATHODES TOYO INK MANUFACTURING CO., LTD. (JP) 2001-06-12 US disclosed