Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | RAPGEF4 | Q8WZA2 | 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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL28535994 | 0.82 | ALDH1A1 (0.40) | ALDH1A1MAPTMAPK1 | |
| SCHEMBL2125698 | 0.82 | RAPGEF4 (0.41) | ALDH1A1MAPTRAPGEF4 | |
| Tetrahydrofuran SCHEMBL28161889 | 0.77 | ALDH1A1 (0.50) | ALDH1A1MAPTMAPK1POLB | |
| Tetrahydrofuran SCHEMBL5596603 | 0.74 | ALDH1A1 (0.36) | ALDH1A1MAPTMAPK1POLBRAPGEF4 | |
| Tetrahydrofuran SCHEMBL27503249 | 0.72 | ALDH1A1 (0.35) | ALDH1A1MAPTMAPK1POLBRAPGEF4 | |
| Tetrahydrofuran SCHEMBL5596334 | 0.72 | ALDH1A1 (0.35) | ALDH1A1MAPTMAPK1POLBRAPGEF4 | |
| Tetrahydrofuran SCHEMBL5613822 | 0.72 | ALDH1A1 (0.35) | ALDH1A1MAPTMAPK1POLBRAPGEF4 | |
| SCHEMBL357015 | 0.69 | RAPGEF4 (0.39) | ALDH1A1MAPTRAPGEF4 | |
| Tetrahydrofuran SCHEMBL28811344 | 0.67 | ALDH1A1 (0.38) | ALDH1A1 | |
| P-Xylene SCHEMBL21806075 | 0.66 | ACHE (0.50) | ALDH1A1 |
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-102241698-B | Star-shaped triaryl borane compound and preparation method and application thereof | CHINESE ACAD TECH INST PHYSICS | 2013-12-25 | — | — | CN | disclosed |