Adenine

Adenine

SCHEMBL5548906

N=c1[nH]cnc2[nH]cnc12

nearest known ligand 0.38

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 1/20 0.38
PTGS1 P23219 1/20 0.38
HBB P68871 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CSNK2A1 P68400 3/20 0.33
CSNK2A2 P19784 2/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
CSNK2B P67870 1/20 0.33
KMT2A Q03164 1/20 0.33
DYRK1A Q13627 1/20 0.33
CSNK2A3 Q8NEV1 1/20 0.33
ACHE P22303 1/20 0.30
GDA Q9Y2T3 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30

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 SCHEMBL822613 0.70 TSHR (0.47) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
Hypoxanthine SCHEMBL31181347 0.69 ACHE (0.38) KDM4EALDH1A1HPGDTDP1TP53
Adenine SCHEMBL8110 0.63 PI4KA (0.48) GDA
SCHEMBL31139534 0.62 CSNK2A2 (0.40) KDM4EALDH1A1HPGDTDP1TP53
SCHEMBL30942632 0.62 CHEK1 (0.42) KDM4EALDH1A1HPGDTDP1TP53
SCHEMBL1664855 0.61 PARP1 (0.43)
Mercaptopurine Anhydrous SCHEMBL734087 0.61 PI4KA (0.32) KDM4EALDH1A1HPGDTDP1TP53
Adenine SCHEMBL385841 0.61 PI4KA (0.45) GDA
SCHEMBL240979 0.58 TP53 (0.52) ALDH1A1TP53HSD17B10
SCHEMBL18879077 0.58 ROCK1 (0.44)

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 KDM4E 3147/4885ALDH1A1 620/4885HPGD 1662/4885

“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.