Adenine

Adenine

SCHEMBL4201615

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

nearest known ligand 0.51

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.51
PI4K2B Q8TCG2 2/20 0.51
PI4K2A Q9BTU6 2/20 0.51
PI4KB Q9UBF8 2/20 0.51
LMNA P02545 2/20 0.51
DRD3 P35462 1/20 0.51
XDH P47989 1/20 0.51
LRRK2 Q5S007 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 5/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 3/20 0.38
HSD17B10 Q99714 2/20 0.37
PKM P14618 1/20 0.36
MAPT P10636 1/20 0.35
NPC1 O15118 2/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35

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 SCHEMBL4201626 0.84 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL29522302 0.80 PI4KA (0.59) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL1577866 0.78 LMNA (0.56) PI4KAPI4K2BPI4K2API4KBLMNA
Mercaptopurine Anhydrous SCHEMBL6897151 0.78 SMN1; SMN2 (0.45) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL6162497 0.77 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL28186581 0.77 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBLMNA
Glutamine SCHEMBL27878718 0.76 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBLMNA
Lysine SCHEMBL28077124 0.76 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL9663406 0.75 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL28129349 0.75 PI4KA (0.55) 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