Adenine

Adenine

SCHEMBL11149448

CNc1nc(C)nc2nc(C)[nH]c12.Nc1ncnc2nc[nH]c12

nearest known ligand 0.52

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 3/20 0.52
▸ PI4K2B Q8TCG2 3/20 0.52
▸ PI4K2A Q9BTU6 3/20 0.52
▸ PI4KB Q9UBF8 3/20 0.52
▸ XDH P47989 2/20 0.52
▸ LRRK2 Q5S007 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ DRD3 P35462 1/20 0.52
▸ NUDT1 P36639 2/20 0.40
▸ TP53 P04637 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HBB P68871 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ PDPK1 O15530 3/20 0.38
▸ GDA Q9Y2T3 1/20 0.38
▸ CHEK1 O14757 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ CHEK2 O96017 1/20 0.37
▸ HSP90AA1 P07900 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 SCHEMBL29242838 0.78 LMNA (0.71) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL30523428 0.77 XDH (0.67) XDHCYP2C19PDPK1GDAADORA2A
SCHEMBL20565 0.77 XDH (0.67) XDHCYP2C19PDPK1GDAADORA2A
SCHEMBL20420132 0.73 AKT2 (0.42) XDHNUDT1TP53ALDH1A1CYP2C19
SCHEMBL30109321 0.72 NUDT1 (0.68) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL1059581 0.72 NUDT1 (0.68) PI4KAPI4K2BPI4K2API4KBXDH
Adenine SCHEMBL1331751 0.72 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBXDH
Adenine SCHEMBL8111 0.72 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBXDH
Adenine SCHEMBL3414606 0.72 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBXDH
Adenine SCHEMBL29355156 0.72 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4376823-A RNA, ANTIBIOTIC RESISTANCE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1983-03-15 — — US disclosed
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