Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5799132 | 1.00 | TRPA1 (0.38) | TRPA1ALDH1A1KMT2ATSHR | |
| SCHEMBL5312074 | 0.83 | PPARG (0.31) | TRPA1ALDH1A1 | |
| SCHEMBL5315515 | 0.83 | PPARG (0.31) | TRPA1ALDH1A1 | |
| SCHEMBL11120731 | 0.82 | KMT2A (0.36) | ALDH1A1KMT2A | |
| SCHEMBL11120729 | 0.82 | KMT2A (0.36) | ALDH1A1KMT2A | |
| SCHEMBL16649938 | 0.79 | ALDH1A1 (0.45) | TRPA1ALDH1A1KMT2ATSHR | |
| SCHEMBL16649939 | 0.79 | ALDH1A1 (0.45) | TRPA1ALDH1A1KMT2ATSHR | |
| SCHEMBL8715317 | 0.77 | — | — | |
| SCHEMBL11117985 | 0.75 | CES1 (0.39) | ALDH1A1KMT2ATSHR | |
| SCHEMBL11117981 | 0.75 | CES1 (0.39) | ALDH1A1KMT2ATSHR |
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-2006057503-A1 | NOVEL COMPOUNDS AS AGONIST FOR PPARϜ AND PPARα, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | LG LIFE SCIENCES, LTD. (KR) | 2006-06-01 | — | — | WO | disclosed |