Pyrene

Pyrene

SCHEMBL4521971

O=C(O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O.c1cc2ccc3cccc4ccc(c1)c2c34

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
CYP1A1 P04798 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
CYP1B1 Q16678 1/20 0.37
IDUA P35475 2/20 0.37
CES1 P23141 1/20 0.34
POLB P06746 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
CYP2D6 P10635 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
Benzo[Def]Chrysene SCHEMBL4955962 0.85 CYP1A2 (0.54) KMT2AMEN1ALDH1A1CYP1A2HPGD
Anthracene SCHEMBL4516327 0.85 POLB (0.43) KMT2AMEN1ALDH1A1CYP1A2HPGD
Anthracene SCHEMBL4530438 0.85 POLB (0.43) KMT2AMEN1ALDH1A1CYP1A2HPGD
Glucuronate SCHEMBL8935076 0.80 CYP1A2 (0.49) KMT2AMEN1ALDH1A1CYP1A2HPGD
Glucuronate SCHEMBL25253417 0.80 IDUA (0.50) ALDH1A1HPGDHSD17B10IDUACA12
Glucuronate SCHEMBL22749019 0.80 IDUA (0.50) ALDH1A1HPGDHSD17B10IDUACA12
Glucuronate SCHEMBL18163135 0.80 IDUA (0.50) ALDH1A1HPGDHSD17B10IDUACA12
Glucuronate SCHEMBL21792734 0.80 IDUA (0.50) ALDH1A1HPGDHSD17B10IDUACA12
Glucuronate SCHEMBL21312643 0.80 IDUA (0.50) ALDH1A1HPGDHSD17B10IDUACA12
Glucuronate SCHEMBL20094857 0.80 IDUA (0.50) ALDH1A1HPGDHSD17B10IDUACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8632966-B2 Detection of biological molecules by differential partitioning of enzyme substrates and products QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-01-21 US claimed
US-20130217041-A1 DETECTION OF BIOLOGICAL MOLECULES BY DIFFERENTIAL PARTITIONING OF ENZYME SUBSTRATES AND PRODUCTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2013-08-22 US claimed
US-8377686-B2 Detection of biological molecules by differential partitioning of enzyme substrates and products QUEEN'S UNIVERSITY AT KINGSTON (CA) 2013-02-19 US claimed
US-20090117600-A1 Detection of biological molecules by differential partitioning of enzyme substrates and products QUEEN'S UNIVERSITY AT KINGSTON (CA) 2009-05-07 US claimed
US-7402426-B2 Analyzing microorganism associated with an enzyme in a sample water, food, soil, or a biological sample, enzyme-linked immunosorbent assay, automatic detect fluorescence with optical fiber, separate with polydimethylsiloxane films; diagnostic kits QUEEN'S UNIVERSITY AT KINGSTON (CA) 2008-07-22 US claimed
EP-1539986-B1 DETECTION OF BIOLOGICAL MOLECULES BY DIFFERENTIAL PARTITIONING OF ENZYME SUBSTRATES AND PRODUCTS UNIV KINGSTON (CA) 2007-07-18 EP claimed
EP-1539986-A1 DETECTION OF BIOLOGICAL MOLECULES BY DIFFERENTIAL PARTITIONING OF ENZYME SUBSTRATES AND PRODUCTS Queen's University at Kingston (CA) 2005-06-15 EP claimed
US-20040106164-A1 Analyzing microorganism associated with an enzyme in a sample water, food, soil, or a biological sample, enzyme-linked immunosorbent assay, automatic detect fluorescence with optical fiber, separate with polydimethylsiloxane films; diagnostic kits QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-06-03 US claimed
WO-2004027084-A1 DETECTION OF BIOLOGICAL MOLECULES BY DIFFERENTIAL PARTITIONING OF ENZYME SUBSTRATES AND PRODUCTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-04-01 WO claimed
US-20140295403-A1 DETECTION OF BIOLOGICAL MOLECULES BY DIFFERENTIAL PARTITIONING OF ENZYME SUBSTRATES AND PRODUCTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-10-02 US disclosed
US-8632966-B2 Detection of biological molecules by differential partitioning of enzyme substrates and products QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-01-21 US disclosed
US-20130217041-A1 DETECTION OF BIOLOGICAL MOLECULES BY DIFFERENTIAL PARTITIONING OF ENZYME SUBSTRATES AND PRODUCTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2013-08-22 US disclosed
US-20130217039-A1 OPTICAL PATHOGEN DETECTION SYSTEM AND QUALITY CONTROL MATERIALS FOR USE IN SAME QUEEN'S UNIVERSITY AT KINGSTON (CA) 2013-08-22 US disclosed
US-8377686-B2 Detection of biological molecules by differential partitioning of enzyme substrates and products QUEEN'S UNIVERSITY AT KINGSTON (CA) 2013-02-19 US disclosed
US-20090117600-A1 Detection of biological molecules by differential partitioning of enzyme substrates and products QUEEN'S UNIVERSITY AT KINGSTON (CA) 2009-05-07 US disclosed
US-7402426-B2 Analyzing microorganism associated with an enzyme in a sample water, food, soil, or a biological sample, enzyme-linked immunosorbent assay, automatic detect fluorescence with optical fiber, separate with polydimethylsiloxane films; diagnostic kits QUEEN'S UNIVERSITY AT KINGSTON (CA) 2008-07-22 US disclosed
EP-1539986-B1 DETECTION OF BIOLOGICAL MOLECULES BY DIFFERENTIAL PARTITIONING OF ENZYME SUBSTRATES AND PRODUCTS UNIV KINGSTON (CA) 2007-07-18 EP disclosed
EP-1539986-A1 DETECTION OF BIOLOGICAL MOLECULES BY DIFFERENTIAL PARTITIONING OF ENZYME SUBSTRATES AND PRODUCTS Queen's University at Kingston (CA) 2005-06-15 EP disclosed
US-20040106164-A1 Analyzing microorganism associated with an enzyme in a sample water, food, soil, or a biological sample, enzyme-linked immunosorbent assay, automatic detect fluorescence with optical fiber, separate with polydimethylsiloxane films; diagnostic kits QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-06-03 US disclosed
WO-2004027084-A1 DETECTION OF BIOLOGICAL MOLECULES BY DIFFERENTIAL PARTITIONING OF ENZYME SUBSTRATES AND PRODUCTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-04-01 WO disclosed