Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH2 | P05091 | 1/20 | 0.40 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 3/20 | 0.37 |
| ▸ | MAOB | P27338 | 3/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8824073 | 0.84 | MAOA (0.37) | ALDH2ALDH3A1MAOAMAOBCA12 | |
| SCHEMBL13646691 | 0.84 | MAOA (0.37) | ALDH2ALDH3A1MAOAMAOBCA12 | |
| SCHEMBL13283638 | 0.84 | MAOA (0.42) | ALDH2ALDH3A1MAOAMAOB | |
| SCHEMBL10293214 | 0.81 | MAOA (0.39) | ALDH2ALDH3A1MAOAMAOBMAPT | |
| SCHEMBL6836680 | 0.81 | ALDH2 (0.58) | ALDH2ALDH3A1MAOBMEN1ALDH1A1 | |
| SCHEMBL23925875 | 0.77 | MAOB (0.42) | MAOAMAOBMEN1ALDH1A1MAPT | |
| SCHEMBL23925752 | 0.77 | ALDH2 (0.33) | ALDH2ALDH3A1 | |
| SCHEMBL23925798 | 0.77 | MAOB (0.42) | MAOAMAOB | |
| SCHEMBL23925952 | 0.75 | NPSR1 (0.57) | MAOAMAOB | |
| SCHEMBL12787335 | 0.75 | CA12 (0.48) | ALDH2CA12CA9ALDH1A1 |
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-86102877-A | The method for preparing bicyclic pyrazolidinones | — | 1986-10-29 | — | — | CN | disclosed |