Pyrene

Pyrene

SCHEMBL2320501

CCC.N.c1cc2ccc3cccc4ccc(c1)c2c34

nearest known ligand 0.69

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.69
HPGD P15428 6/20 0.69
HSD17B10 Q99714 4/20 0.69
TSHR P16473 4/20 0.69
CYP1A2 P05177 4/20 0.69
CYP3A4 P08684 3/20 0.69
CYP1B1 Q16678 3/20 0.69
CYP1A1 P04798 2/20 0.69
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ERBB2 P04626 1/20 0.46
FYN P06241 1/20 0.46
MAOA P21397 1/20 0.46
ACHE P22303 1/20 0.46
AHR P35869 1/20 0.46
THRB P10828 1/20 0.46
KDM4E B2RXH2 5/20 0.43
MAPT P10636 4/20 0.42
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.41

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
Pyrene SCHEMBL18191904 0.97 ALDH1A1 (0.65) ALDH1A1HPGDHSD17B10TSHRCYP1A2
Pyrene SCHEMBL8619915 0.97 ALDH1A1 (0.73) ALDH1A1HPGDHSD17B10TSHRCYP1A2
Pyrene SCHEMBL2315451 0.91 ALDH1A1 (0.65) ALDH1A1HPGDHSD17B10TSHRCYP1A2
Pyrene SCHEMBL27835670 0.88 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10TSHRCYP1A2
Pyrene SCHEMBL3267212 0.87 ALDH1A1 (0.92) ALDH1A1HPGDHSD17B10TSHRCYP1A2
Pyrene SCHEMBL1284786 0.87 ALDH1A1 (0.92) ALDH1A1HPGDHSD17B10TSHRCYP1A2
Pyrene SCHEMBL1274682 0.85 ALDH1A1 (0.65) ALDH1A1HPGDHSD17B10TSHRCYP1A2
Pyrene SCHEMBL2317731 0.83 ALDH1A1 (0.85) ALDH1A1HPGDHSD17B10TSHRCYP1A2
Pyrene SCHEMBL9130 0.83 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10TSHRCYP1A2
Pyrene SCHEMBL1650929 0.83 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10TSHRCYP1A2

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
CN-109844530-A Semiconductor transducer and its manufacturing method and compound sensor 东丽株式会社 2019-06-04 CN disclosed
EP-2354790-B1 METHOD FOR DETERMINING PROSTATE CANCER INST NOGUCHI (JP) 2013-07-17 EP disclosed
US-20110236995-A1 METHOD FOR DETERMINING PROSTATE CANCER THE NOGUCHI INSTITUTE (JP) 2011-09-29 US disclosed
EP-2354790-A1 METHOD FOR DETERMINING PROSTATE CANCER The Noguchi Institute (JP) 2011-08-10 EP disclosed