Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7465107 | 1.00 | TRPA1 (0.30) | TRPA1ALDH1A1LMNAALOX5MAPK1 | |
| SCHEMBL7467485 | 0.79 | — | — | |
| SCHEMBL24150044 | 0.71 | CA12 (0.42) | ALDH1A1MAPK1 | |
| SCHEMBL12840925 | 0.70 | — | — | |
| SCHEMBL13328389 | 0.68 | — | — | |
| SCHEMBL31205758 | 0.68 | HDAC3 (0.42) | TRPA1ALDH1A1LMNAALOX5MAPK1 | |
| SCHEMBL13328390 | 0.67 | — | — | |
| SCHEMBL12840727 | 0.67 | — | — | |
| SCHEMBL13328392 | 0.66 | KDM4E (0.30) | — | |
| SCHEMBL13328395 | 0.66 | OPRK1 (0.31) | — |
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-0771796-B1 | Substituted S-triazines and process for their preparation | AGFA GEVAERT (BE) | 2002-06-19 | — | — | EP | disclosed |
| EP-0771796-A1 | Substituted S-triazines and process for their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-05-07 | — | — | EP | disclosed |