Adenine

Adenine

SCHEMBL4201611

NC(CO)C(=O)O.NC(CS)C(=O)O.Nc1ncnc2[nH]cnc12

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.41
SLC7A11 Q9UPY5 1/20 0.41
ALDH1A1 P00352 1/20 0.34
SARS1 P49591 1/20 0.34
CYP3A4 P08684 1/20 0.34
SLC7A5 Q01650 1/20 0.34
EHMT2 Q96KQ7 2/20 0.33
NNMT P40261 2/20 0.33
NSD2 O96028 2/20 0.32
PCMT1 P22061 2/20 0.32
DOT1L Q8TEK3 2/20 0.32
SETD7 Q8WTS6 2/20 0.32
EZH2 Q15910 1/20 0.32
TRDMT1 O14717 1/20 0.32
PRMT5 O14744 1/20 0.32
RNMT O43148 1/20 0.32
INMT O95050 1/20 0.32
TPMT P51580 1/20 0.32
METTL3 Q86U44 1/20 0.32
CARM1 Q86X55 1/20 0.32

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
Mercaptopurine Anhydrous SCHEMBL6897146 0.83 PTGS1 (0.44) PTGS1SLC7A11CYP3A4SLC7A5
Adenine SCHEMBL4201626 0.81 PI4KA (0.55) PTGS1SLC7A11ALDH1A1CYP3A4
Adenine SCHEMBL1577865 0.81 SLC7A5 (0.47) ALDH1A1CYP3A4SLC7A5EHMT2NSD2
Adenine SCHEMBL9663399 0.78 MARS1 (0.43) EHMT2NNMTNSD2DOT1LSETD7
Adenine SCHEMBL385841 0.77 PI4KA (0.45)
Adenine SCHEMBL23928076 0.77 MARS1 (0.42) ALDH1A1EHMT2NNMTNSD2DOT1L
Histidine SCHEMBL7197901 0.77 CYP3A4 (0.37) ALDH1A1CYP3A4SLC7A5EHMT2NNMT
Tyrosine SCHEMBL9732180 0.77 SLC7A5 (0.57) PTGS1SLC7A5
Adenine SCHEMBL14125907 0.76 PI4KA (0.39) ALDH1A1
Adenine SCHEMBL28763031 0.76 PI4KA (0.39) ALDH1A1

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