Pyrene

Pyrene

SCHEMBL9435802

CCCC(=O)O.CCCC(=O)O.c1cc2ccc3cccc4ccc(c1)c2c34

nearest known ligand 0.59

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.59
KMT2A Q03164 5/20 0.59
ALDH1A1 P00352 5/20 0.59
CYP1A2 P05177 5/20 0.59
HSD17B10 Q99714 5/20 0.59
MEN1 O00255 4/20 0.59
KDM4E B2RXH2 3/20 0.59
CYP2D6 P10635 2/20 0.59
GLA P06280 1/20 0.59
POLB P06746 1/20 0.59
FFAR3 O14843 1/20 0.54
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46
MAPT P10636 2/20 0.44

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 SCHEMBL38210 1.00 HPGD (0.59) HPGDKMT2AALDH1A1CYP1A2HSD17B10
Pyrene SCHEMBL30069714 1.00 HPGD (0.59) HPGDKMT2AALDH1A1CYP1A2HSD17B10
Pyrene SCHEMBL9879158 0.98 HPGD (0.57) HPGDKMT2AALDH1A1CYP1A2HSD17B10
Pyrene SCHEMBL28259646 0.98 HPGD (0.57) HPGDKMT2AALDH1A1CYP1A2HSD17B10
Pyrene SCHEMBL28116952 0.96 HPGD (0.56) HPGDKMT2AALDH1A1CYP1A2HSD17B10
Pyrene SCHEMBL28884873 0.94 HPGD (0.54) HPGDKMT2AALDH1A1CYP1A2HSD17B10
Butyric Acid SCHEMBL10457169 0.90 ALDH1A1 (0.54) HPGDKMT2AALDH1A1CYP1A2HSD17B10
Butyric Acid SCHEMBL7907364 0.90 KMT2A (0.53) HPGDKMT2AALDH1A1CYP1A2HSD17B10
Butyric Acid SCHEMBL9435689 0.90 KMT2A (0.53) HPGDKMT2AALDH1A1CYP1A2HSD17B10
Butyric Acid SCHEMBL27676873 0.89 FFAR3 (0.62) HPGDKMT2AALDH1A1CYP1A2HSD17B10

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
EP-0344313-B1 PROBE FOR MEASURING CONCENTRATION OF DISSOLVED GAS TERUMO CORP (JP) 1994-05-11 EP disclosed
US-4752115-A Optical sensor for monitoring the partial pressure of oxygen SPECTRAMED, INC. (US) 1988-06-21 US disclosed
EP-0190830-A2 Single optical fiber sensor for measuring the partial pressure of oxygen GOULD INC. (US) 1986-08-13 EP disclosed
EP-0190829-A2 Optical sensor for monitoring the partial pressure of oxygen GOULD INC. (US) 1986-08-13 EP disclosed