Known targets — ChEMBL curated mechanism
DHFRGARTPTGFRPTGIRPTGS1PTGS2TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8envmurAthyA
The experimentally established mechanism targets of Triaziquone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Triaziquone SCHEMBL3859202 | 1.00 | — | — | |
| Triaziquone SCHEMBL3903404 | 0.94 | DNMT1 (0.32) | — | |
| Triaziquone SCHEMBL8482977 | 0.86 | DNMT1 (0.37) | — | |
| Triaziquone SCHEMBL93807 | 0.86 | DNMT1 (0.37) | — | |
| Triaziquone SCHEMBL207077 | 0.85 | DNMT1 (0.36) | — | |
| Triaziquone SCHEMBL9125279 | 0.85 | DNMT1 (0.36) | — | |
| Triaziquone SCHEMBL626502 | 0.83 | DNMT1 (0.35) | — | |
| Triaziquone SCHEMBL3641977 | 0.83 | DNMT1 (0.31) | — | |
| Edetic Acid SCHEMBL8209471 | 0.81 | TDP1 (0.33) | — | |
| Triaziquone SCHEMBL5697804 | 0.81 | MAPT (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0835233-A1 | COMPOSITION AND METHOD FOR STABILIZING RADIOLABELED ORGANIC COMPOUNDS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1998-04-15 | — | — | EP | disclosed |
| WO-1997001520-A1 | COMPOSITION AND METHOD FOR STABILIZING RADIOLABELED ORGANIC COMPOUNDS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1997-01-16 | — | — | WO | disclosed |