Pyrene

Pyrene

SCHEMBL991876

Nc1ncnc2nc[nH]c12.c1cc2ccc3cccc4ccc(c1)c2c34.c1cc2ccc3cccc4ccc(c1)c2c34

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 4/20 0.71
▸ PI4K2B Q8TCG2 4/20 0.71
▸ PI4K2A Q9BTU6 4/20 0.71
▸ PI4KB Q9UBF8 4/20 0.71
▸ LMNA P02545 2/20 0.71
▸ LRRK2 Q5S007 2/20 0.71
▸ DRD3 P35462 1/20 0.71
▸ XDH P47989 1/20 0.71
▸ PDPK1 O15530 2/20 0.46
▸ GDA Q9Y2T3 1/20 0.46
▸ HTR3E A5X5Y0 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HTR3B O95264 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTR3A P46098 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HTR3C Q8WXA8 1/20 0.43
▸ G6PD P11413 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42

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
Adenine SCHEMBL3413249 0.84 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL29466915 0.84 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL29355156 0.84 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL8111 0.84 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL3414606 0.84 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL3416956 0.84 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL1331751 0.84 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL29982697 0.84 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL29442902 0.84 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL10869006 0.82 PI4KA (0.96) PI4KAPI4K2BPI4K2API4KBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108676024-B The near-infrared squaraine dye and its preparation method and application of phenyl boric acid modification 福州大学 2019-10-15 — — CN disclosed
CN-108676024-A The near-infrared squaraine dye and its preparation method and application of phenyl boric acid modification 福州大学 2018-10-19 — — CN disclosed
US-20120129725-A1 NUCLEIC ACID NANO-BIOSENSORS SYDDANSK UNIVERSITET (DK) 2012-05-24 — — US disclosed
EP-2451976-A1 NUCLEIC ACID NANO-BIOSENSORS Syddansk Universitet (DK) 2012-05-16 — — EP disclosed
WO-2011003424-A1 NUCLEIC ACID NANO-BIOSENSORS SYDDANSK UNIVERSITET (DK) 2011-01-13 — — WO disclosed
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