Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.31 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9761786 | 0.78 | ALDH1A1 (0.38) | KCNH2ALDH1A1MAPTHCAR2AKR1C3 | |
| SCHEMBL9760927 | 0.72 | KMT2A (0.42) | ALDH1A1MAPT | |
| SCHEMBL9762264 | 0.70 | KCNH2 (0.37) | KCNH2ALDH1A1CYP3A4MAPTMAPK1 | |
| SCHEMBL9761357 | 0.70 | HPGD (0.37) | MAPT | |
| SCHEMBL5278295 | 0.65 | ALDH1A1 (0.36) | ALDH1A1MAPTHCAR2 | |
| SCHEMBL971909 | 0.63 | ALDH1A1 (0.46) | KCNH2ALDH1A1CYP3A4MAPT | |
| SCHEMBL9761859 | 0.62 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL10399847 | 0.62 | HCAR2 (0.54) | ALDH1A1HCAR2 | |
| SCHEMBL9762203 | 0.62 | KCNH2 (0.38) | KCNH2ALDH1A1 | |
| SCHEMBL9669528 | 0.61 | ALDH1A1 (0.51) | KCNH2ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5026694-A | Antitumor agents | THE BRITISH COLUMBIA CANCER FOUNDATION (CA) | 1991-06-25 | — | — | US | disclosed |