Adenine

Adenine

SCHEMBL4201626

N[C@@H](CO)C(=O)O.N[C@@H](CS)C(=O)O.Nc1ncnc2nc[nH]c12

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.55
PI4K2B Q8TCG2 2/20 0.55
PI4K2A Q9BTU6 2/20 0.55
PI4KB Q9UBF8 2/20 0.55
LMNA P02545 2/20 0.55
DRD3 P35462 1/20 0.55
XDH P47989 1/20 0.55
LRRK2 Q5S007 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.43
PTGS1 P23219 1/20 0.40
SLC7A11 Q9UPY5 1/20 0.40
HIF1A Q16665 2/20 0.40
PKM P14618 1/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37

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 SCHEMBL4201615 0.84 PI4KA (0.51) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL29522302 0.83 PI4KA (0.59) PI4KAPI4K2BPI4K2API4KBLMNA
Mercaptopurine Anhydrous SCHEMBL6897151 0.83 SMN1; SMN2 (0.45) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL6162502 0.82 PI4KA (0.51) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL1577866 0.81 LMNA (0.56) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL4201611 0.81 PTGS1 (0.41) PTGS1SLC7A11CYP3A4ALDH1A1
Adenine SCHEMBL28186581 0.80 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBLMNA
Glutamine SCHEMBL27878718 0.79 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBLMNA
Lysine SCHEMBL28077124 0.79 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL9663406 0.78 PI4KA (0.52) 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
US-8206931-B2 Methods of identifying modulators of cellular glycosylation using GTRAP3-18 THE JOHNS HOPKINS UNIVERSITY (US) 2012-06-26 US disclosed
EP-1595129-A4 METHODS OF IDENTIFYING MODULATORS OF CELLULAR GLYCOSYLATION USING GTRAP3-18 UNIV JOHNS HOPKINS (US) 2009-03-04 EP disclosed
US-20060211042-A1 Methods of identifying modulators of cellular glycosylation using gtrap3-18 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-09-21 US disclosed
EP-1595129-A2 METHODS OF IDENTIFYING MODULATORS OF CELLULAR GLYCOSYLATION USING GTRAP3-18 THE JOHNS HOPKINS UNIVERSITY (US) 2005-11-16 EP disclosed
WO-2004065932-A2 METHODS OF IDENTIFYING MODULATORS OF CELLULAR GLYCOSYLATION USING GTRAP3-18 THE JOHNS HOPKINS UNIVERSITY (US) 2004-08-05 WO disclosed