Adenine

Adenine

SCHEMBL9663406

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

nearest known ligand 0.52

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.52
PI4K2B Q8TCG2 2/20 0.52
PI4K2A Q9BTU6 2/20 0.52
PI4KB Q9UBF8 2/20 0.52
LMNA P02545 2/20 0.52
DRD3 P35462 1/20 0.52
XDH P47989 1/20 0.52
LRRK2 Q5S007 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 2/20 0.41
PKM P14618 1/20 0.41
TP53 P04637 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
APEX1 P27695 1/20 0.39
MARS1 P56192 5/20 0.38
CYP1A2 P05177 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 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 SCHEMBL23928077 0.99 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBLMNA
Tryptophan SCHEMBL8984733 0.84 KMT2A (0.54) LMNASMN1; SMN2TSHRKDM4EHSD17B10
Adenine SCHEMBL9663399 0.82 MARS1 (0.43) MARS1
Lysine SCHEMBL28077124 0.82 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBLMNA
Glutamine SCHEMBL27878718 0.82 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL1577866 0.81 LMNA (0.56) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL29522302 0.81 PI4KA (0.59) PI4KAPI4K2BPI4K2API4KBLMNA
Adenine SCHEMBL23928076 0.81 MARS1 (0.42) TSHRMARS1ALDH1A1
Adenine SCHEMBL28186581 0.81 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL9176257 0.79 TSHR (0.56) LMNASMN1; SMN2TSHRCYP1A2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020155742-A1 METHOD FOR DERIVING ALDEHYDE-BASED PYRIMIDINE, METHOD FOR DETECTING 5-ALDEHYDE CYTOSINE, AND USE OF ALDEHYDE-BASED PYRIMIDINE DERIVATIVE 四川大学 2020-08-06 WO disclosed
EP-0506789-A1 CLONING VECTOR FOR USE IN LACTIC ACID BACTERIA AND A METHOD FOR CONSTRUCTING THE SAME. VALIO FINNISH COOPERATIVE DAIR (FI) 1992-10-07 EP disclosed
WO-1991009132-A1 CLONING VECTOR FOR USE IN LACTIC ACID BACTERIA AND A METHOD FOR CONSTRUCTING THE SAME VALIO FINNISH COOPERATIVE DAIRIES ASSOCIATION (FI) 1991-06-27 WO disclosed