Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 5/20 | 0.45 |
| ▸ | TNNI3K | Q59H18 | 2/20 | 0.45 |
| ▸ | MAP3K14 | Q99558 | 10/20 | 0.44 |
| ▸ | KDR | P35968 | 2/20 | 0.40 |
| ▸ | BRAF | P15056 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | CIT | O14578 | 1/20 | 0.37 |
| ▸ | CSF1R | P07333 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28657455 | 1.00 | TRPA1 (0.45) | TRPA1TNNI3KMAP3K14KDRBRAF | |
| SCHEMBL28639382 | 0.78 | MAP3K14 (0.68) | MAP3K14 | |
| SCHEMBL30516482 | 0.78 | MAP3K14 (0.68) | MAP3K14 | |
| SCHEMBL4548935 | 0.64 | KDR (0.69) | TRPA1TNNI3KKDRBRAFMAPK14 | |
| SCHEMBL23072725 | 0.60 | TRPA1 (0.55) | TRPA1TNNI3KKDRBRAFMAPK14 | |
| SCHEMBL20439521 | 0.60 | TRPA1 (0.55) | TRPA1TNNI3KKDRBRAFMAPK14 | |
| SCHEMBL28524919 | 0.60 | CTSA (0.40) | — | |
| SCHEMBL20437215 | 0.60 | ITGB3 (0.53) | TRPA1TNNI3KKDRBRAFMAPK14 | |
| SCHEMBL4548932 | 0.60 | KDR (0.70) | TRPA1TNNI3KKDRBRAFMAPK14 | |
| SCHEMBL2882091 | 0.59 | TRPA1 (0.75) | TRPA1TNNI3KKDRBRAFMAPK14 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112794855-B | Preparation method and application of N-aryl pyrimidine-4-amine derivative | 中国药科大学 | 2023-07-28 | — | — | CN | disclosed |