Pyrene

Pyrene

SCHEMBL2315451

CCCC.N.c1cc2ccc3cccc4ccc(c1)c2c34

nearest known ligand 0.65

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.65
HSD17B10 Q99714 5/20 0.65
HPGD P15428 5/20 0.65
TSHR P16473 4/20 0.65
CYP1A2 P05177 4/20 0.65
CYP3A4 P08684 3/20 0.65
CYP1B1 Q16678 3/20 0.65
CYP1A1 P04798 2/20 0.65
TDP1 Q9NUW8 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
THRB P10828 1/20 0.43
KDM4E B2RXH2 6/20 0.41
MAPT P10636 4/20 0.40
GAA P10253 1/20 0.40
ERBB2 P04626 1/20 0.39
FYN P06241 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
AHR P35869 1/20 0.39
MEN1 O00255 1/20 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
Pyrene SCHEMBL27835670 0.97 ALDH1A1 (0.61) ALDH1A1HSD17B10HPGDTSHRCYP1A2
Pyrene SCHEMBL2320501 0.91 ALDH1A1 (0.69) ALDH1A1HSD17B10HPGDTSHRCYP1A2
Pyrene SCHEMBL18191904 0.88 ALDH1A1 (0.65) ALDH1A1HSD17B10HPGDTSHRCYP1A2
Pyrene SCHEMBL8619915 0.88 ALDH1A1 (0.73) ALDH1A1HSD17B10HPGDTSHRCYP1A2
Pyrene SCHEMBL28193182 0.86 ALDH1A1 (0.61) ALDH1A1HSD17B10HPGDTSHRCYP1A2
Pyrene SCHEMBL1284786 0.84 ALDH1A1 (0.92) ALDH1A1HSD17B10HPGDTSHRCYP1A2
Pyrene SCHEMBL3267212 0.84 ALDH1A1 (0.92) ALDH1A1HSD17B10HPGDTSHRCYP1A2
Pyrene SCHEMBL8821795 0.83 ALDH1A1 (0.58) ALDH1A1HSD17B10HPGDTSHRCYP1A2
Pyrene SCHEMBL29078946 0.83 ALDH1A1 (0.58) ALDH1A1HSD17B10HPGDTSHRCYP1A2
Pyrene SCHEMBL28128984 0.83 ALDH1A1 (0.58) ALDH1A1HSD17B10HPGDTSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111727209-B Removable non-conjugated polymer for dispersing carbon nanotubes 威斯康星州男校友研究基金会 2023-06-20 CN disclosed
CN-110305269-A A kind of (AB) of modified rubberZType segmented copolymer and the preparation method and application thereof 华南理工大学 2019-10-08 CN disclosed
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