Adenine

Adenine

SCHEMBL7002960

Nc1cc[nH]c(=O)n1.Nc1cc[nH]c(=O)n1.Nc1ncnc2nc[nH]c12.Nc1ncnc2nc[nH]c12

nearest known ligand 0.63

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 3/20 0.63
PI4K2B Q8TCG2 3/20 0.63
PI4K2A Q9BTU6 3/20 0.63
PI4KB Q9UBF8 3/20 0.63
LMNA P02545 2/20 0.63
DRD3 P35462 1/20 0.63
XDH P47989 1/20 0.63
LRRK2 Q5S007 1/20 0.63
PDPK1 O15530 1/20 0.41
GDA Q9Y2T3 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CDK2 P24941 1/20 0.39
MAPK1 P28482 1/20 0.39
PNP P00491 1/20 0.39
MKNK1 Q9BUB5 2/20 0.39
ROCK1 Q13464 1/20 0.39
TNNI3K Q59H18 1/20 0.38

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 SCHEMBL1065186 1.00 PI4KA (0.63) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL1023306 1.00 PI4KA (0.63) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL18189917 1.00 PI4KA (0.63) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL2167068 1.00 PI4KA (0.63) PI4KAPI4K2BPI4K2API4KBLMNA
Guanine SCHEMBL37966 0.89 PNP (0.59) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL4579097 0.85 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBLMNA
Hypoxanthine SCHEMBL16096397 0.85 ALDH1A1 (0.58) PI4KAPI4K2BPI4K2API4KBLMNA
2,6-Diaminopurine SCHEMBL23292805 0.84 PNP (0.53) PI4KAPI4K2BPI4K2API4KBLMNA
Guanine SCHEMBL2636587 0.83 PNP (0.51) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL6227732 0.81 PI4KA (0.41) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512860-A1 NUCLEOSIDE AND NUCLEOTIDE ANALOGUES BEARING A QUATERNARY ALL-CARBON STEREOGENIC CENTER AT THE 2' POSITION AND METHODS OF USE AS A CARDIOPROTECTIVE AGENT LCB Pharma Inc. (CA) 2019-07-24 EP claimed
WO-2018049534-A1 NUCLEOSIDE AND NUCLEOTIDE ANALOGUES BEARING A QUATERNARY ALL-CARBON STEREOGENIC CENTER AT THE 2' POSITION AND METHODS OF USE AS A CARDIOPROTECTIVE AGENT LCB PHARMA INC. (CA) 2018-03-22 WO claimed
US-20030129616-A1 Use of a mutation in the gene for the beta3-subunit of human g-protein SNIP BIOTECH GMBH & CO. KG (DE) 2003-07-10 US claimed
US-20030129616-A1 Use of a mutation in the gene for the beta3-subunit of human g-protein SNIP BIOTECH GMBH & CO. KG (DE) 2003-07-10 US disclosed
EP-1268852-A1 USE OF A MUTATION IN THE GENE FOR THE BETA-3-SUBUNIT OF HUMAN G-PROTEIN Siffert, Winfried (DE) 2003-01-02 EP disclosed
WO-2001057246-A1 USE OF A MUTATION IN THE GENE FOR THE β3-SUBUNIT OF HUMAN G-PROTEIN SIFFERT WINFRIED (DE) 2001-08-09 WO disclosed