Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 3/20 | 0.44 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.41 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL19933953 | 0.90 | MAPK14 (0.56) | MAPK14 | |
| SCHEMBL19933819 | 0.87 | TP53 (0.52) | TP53 | |
| SCHEMBL19933881 | 0.87 | TP53 (0.43) | MAPK14HSP90AA1HSP90B1TRAP1TP53 | |
| SCHEMBL19933962 | 0.85 | MAPK14 (0.43) | MAPK14HSP90AA1HSP90B1TRAP1TP53 | |
| SCHEMBL19933977 | 0.84 | MAPK14 (0.47) | MAPK14 | |
| SCHEMBL19933873 | 0.84 | MAPK14 (0.45) | MAPK14HSP90AA1HSP90B1TRAP1 | |
| SCHEMBL19933822 | 0.81 | TP53 (0.56) | HSP90AA1HSP90B1TRAP1TP53 | |
| SCHEMBL21084353 | 0.81 | MAPK14 (0.46) | MAPK14 | |
| SCHEMBL19933946 | 0.81 | TP53 (0.48) | HSP90AA1HSP90B1TRAP1TP53 | |
| SCHEMBL13307639 | 0.80 | TRPM2 (0.47) | MAPK14TRPM2HSP90AA1HSP90B1TRAP1 |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018045182-A1 | DISUBSTITUTED AND TRISUBTITUTED 1,2,3-TRIAZOLES AS WNT INHIBITORS | THE BOARD OF REGENTS OF HTE UNIVERSITY OF TEXAS SYSTEM (US) | 2018-03-08 | — | — | WO | disclosed |