Adenine

Adenine

SCHEMBL8607558

CC(=O)c1ccccn1.Nc1ncnc2[nH]cnc12.O=c1[nH]cnc2nc[nH]c12

nearest known ligand 0.45

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ EGFR P00533 1/20 0.38
▸ PI4KA P42356 2/20 0.38
▸ PI4K2B Q8TCG2 2/20 0.38
▸ PI4K2A Q9BTU6 2/20 0.38
▸ PI4KB Q9UBF8 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ XDH P47989 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ GDA Q9Y2T3 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ BRD4 O60885 4/20 0.37
▸ NT5C2 P49902 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ BRAF P15056 1/20 0.35
▸ NT5E P21589 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 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 SCHEMBL250054 0.90 ALDH1A1 (0.55) ALDH1A1EGFRLMNAGAAKDM4E
Adenine SCHEMBL8607560 0.89 PI4KA (0.51) ALDH1A1EGFRPI4KAPI4K2BPI4K2A
Hypoxanthine SCHEMBL1266881 0.85 ALDH1A1 (0.62) ALDH1A1LMNAGDAAKR1C1BRD4
Adenine SCHEMBL250055 0.84 PI4KA (0.56) ALDH1A1EGFRPI4KAPI4K2BPI4K2A
Adenine SCHEMBL8820860 0.81 ALDH1A1 (0.58) ALDH1A1PI4KAPI4K2BPI4K2API4KB
Adenine SCHEMBL27168508 0.78 EGFR (0.44) ALDH1A1EGFRLMNAGDAGAA
Adenine SCHEMBL4299753 0.76 KMT2A (0.57) ALDH1A1EGFRLMNABRD4KDM4E
Adenine SCHEMBL8469554 0.72 ALDH1A1 (0.43) ALDH1A1PI4KAPI4K2BPI4K2API4KB
Adenine SCHEMBL14125907 0.72 PI4KA (0.39) ALDH1A1EGFRPI4KAPI4K2BPI4K2A
Adenine SCHEMBL18321272 0.72 GDA (0.43) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5780256-A REACTING WITH AMINO ACID DEHYDROGENASE IN PRESENCE OF THIO-NADP OR THIO-NAD AND OTHER COENZYMES ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1998-07-14 — — US claimed
EP-0632133-B1 HIGHLY SENSITIVE DETERMINATION OF D-3-HYDROXYBUTYRIC ACID OR ACETOACETIC ACID AND COMPOSITION THEREFOR ASAHI CHEMICAL IND (JP) 1998-04-22 — — EP claimed
US-5633143-A Method for the quantitative determination of D-3-hydroxybutyric acid and acetoacetic acid, and analytical reagent therefor ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-05-27 — — US claimed
EP-0632133-A1 HIGHLY SENSITIVE DETERMINATION OF D-3-HYDROXYBUTYRIC ACID OR ACETOACETIC ACID AND COMPOSITION THEREFOR Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-01-04 — — EP claimed
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