Toyocamycin Aglycone

Toyocamycin Aglycone

SCHEMBL7698538

N#Cc1c[nH]c2ncnc(N)c12

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 1/20 0.54
TAB1 Q15750 1/20 0.54
LRRK2 Q5S007 7/20 0.51
CHUK O15111 4/20 0.50
HSP90AB1 P08238 1/20 0.50
ROCK2 O75116 5/20 0.49
ROCK1 Q13464 5/20 0.49
CDC42BPB Q9Y5S2 5/20 0.49
CDC42BPA Q5VT25 4/20 0.49
IRAK4 Q9NWZ3 1/20 0.47

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
SCHEMBL5522171 0.81 LRRK2 (0.40) MAP3K7TAB1LRRK2CHUKHSP90AB1
SCHEMBL154683 0.80 CHUK (0.61) MAP3K7TAB1LRRK2CHUKHSP90AB1
SCHEMBL14649086 0.80 MAP3K7 (0.56) MAP3K7TAB1LRRK2CHUKHSP90AB1
SCHEMBL12590787 0.78 CHUK (0.48) MAP3K7TAB1LRRK2CHUKHSP90AB1
SCHEMBL19185239 0.77 MAP3K7 (0.54) MAP3K7TAB1LRRK2CHUKHSP90AB1
SCHEMBL6311834 0.76 CHUK (0.71) CHUK
SCHEMBL18844347 0.76 MAP3K7 (0.38) MAP3K7TAB1LRRK2CHUKHSP90AB1
SCHEMBL5527750 0.76 RET (0.38) MAP3K7TAB1LRRK2CHUKHSP90AB1
SCHEMBL14670863 0.76 MAP3K7 (0.52) MAP3K7TAB1LRRK2CHUKHSP90AB1
SCHEMBL17401156 0.76 MAP3K7 (0.56) MAP3K7TAB1LRRK2CHUKHSP90AB1

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-20120258928-A1 NUCLEOSIDE CYCLICPHOSPHATES GILEAD PHARMASSET LLC (US) 2012-10-11 US disclosed
US-6342501-B1 VIRICIDES THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-01-29 US disclosed
WO-2000042043-A1 PYRROLO[2,3-d]PYRIMIDINES AS ANTIVIRAL AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2000-07-20 WO disclosed
US-5543413-A VIRAL ACTIVITY AGAINST HUMAN CYTOMEGALOVIRUS AND HERPES SIMPLEX VIRUS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1996-08-06 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-20120258928-A1 NUCLEOSIDE CYCLICPHOSPHATES PNP, NUDT1, TYMP MAP3K7 2479/4885TAB1 2996/4885LRRK2 3433/4885

“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.