Adenine

Adenine

SCHEMBL12545367

C1=CCC2CCC(c3ccccc3)OC2=C1.Nc1ncnc2[nH]cnc12

nearest known ligand 0.31

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31

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
SCHEMBL28378608 0.79 TSHR (0.37)
Flavane SCHEMBL28038439 0.75 SLC8A1 (0.41)
Flavane SCHEMBL27719062 0.74 SLC8A1 (0.40)
Adenine SCHEMBL29031470 0.70 ESR1 (0.54)
Biphenyl SCHEMBL19716178 0.67 MAP4K4 (0.44)
Adenine SCHEMBL28116474 0.65 PI4KA (0.50)
Adenine SCHEMBL385841 0.65 PI4KA (0.45)
Adenine SCHEMBL3414603 0.65 PI4KA (0.48)
Adenine SCHEMBL3413247 0.65 PI4KA (0.48)
Adenine SCHEMBL3416954 0.65 PI4KA (0.48)

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
EP-2505656-A1 Method of producing 3-hydroxypropionic acid using malonic semialdehyde reducing pathway Samsung Electronics Co., Ltd. (KR) 2012-10-03 EP disclosed
US-20120244588-A1 METHOD OF PRODUCING 3-HYDROXYPROPIONIC ACID USING MALONIC SEMIALDEHYDE REDUCING PATHWAY SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-09-27 US disclosed
CN-102690774-A Method of producing 3-hydroxypropionic acid using malonic semialdehyde reducing pathway SAMSUNG ELECTRONICS CO LTD 2012-09-26 CN disclosed