Adenine

Adenine

SCHEMBL5548908

N=c1[nH]cnc2nc[nH]c12

nearest known ligand 0.54

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.54
▸ PI4KA P42356 2/20 0.46
▸ PI4K2B Q8TCG2 2/20 0.46
▸ PI4K2A Q9BTU6 2/20 0.46
▸ PI4KB Q9UBF8 2/20 0.46
▸ LRRK2 Q5S007 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ XDH P47989 1/20 0.46
▸ G6PD P11413 1/20 0.45
▸ PDPK1 O15530 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ CHEK2 O96017 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ HSP90AB1 P08238 1/20 0.42
▸ PRKACA P17612 1/20 0.42
▸ CCNE1 P24864 1/20 0.42

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
Hypoxanthine SCHEMBL7037918 0.70 ALDH1A1 (1.00) ALDH1A1PI4KAPI4K2BPI4K2API4KB
Hypoxanthine SCHEMBL25381 0.70 ALDH1A1 (1.00) ALDH1A1PI4KAPI4K2BPI4K2API4KB
Hypoxanthine SCHEMBL30096461 0.70 ALDH1A1 (1.00) ALDH1A1PI4KAPI4K2BPI4K2API4KB
SCHEMBL2008437 0.69 LMNA (0.57) ALDH1A1PI4KAPI4K2BPI4K2API4KB
Hypoxanthine SCHEMBL560392 0.68 ALDH1A1 (0.95) ALDH1A1PI4KAPI4K2BPI4K2API4KB
SCHEMBL160505 0.68 ALDH1A1 (0.54) ALDH1A1PI4KAPI4K2BPI4K2API4KB
Hypoxanthine SCHEMBL7168422 0.68 ALDH1A1 (0.95) ALDH1A1PI4KAPI4K2BPI4K2API4KB
Hypoxanthine SCHEMBL2639254 0.68 ALDH1A1 (0.95) ALDH1A1PI4KAPI4K2BPI4K2API4KB
Hypoxanthine SCHEMBL122843 0.68 ALDH1A1 (0.95) ALDH1A1PI4KAPI4K2BPI4K2API4KB
Mercaptopurine Anhydrous SCHEMBL3895 0.68 ALDH1A1 (0.54) ALDH1A1PI4KAPI4K2BPI4K2API4KB

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-20070142317-A1 Topical composition for treatment of skin disorders QLT USA, INC. (US) 2007-06-21 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070142317-A1 Topical composition for treatment of skin disorders CDA, ADA, DCTD ALDH1A1 620/4885PI4KA 3462/4885PI4K2B 3646/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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