Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH2 | P05091 | 15/20 | 0.64 |
| ▸ | MAOA | P21397 | 8/20 | 0.64 |
| ▸ | MAOB | P27338 | 8/20 | 0.64 |
| ▸ | LSS | P48449 | 1/20 | 0.50 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4745525 | 0.96 | ALDH2 (0.65) | ALDH2MAOAMAOBLSS | |
| SCHEMBL4746357 | 0.95 | ALDH2 (0.65) | ALDH2MAOAMAOBLSS | |
| SCHEMBL4746424 | 0.95 | ALDH2 (0.65) | ALDH2MAOAMAOBLSS | |
| SCHEMBL4746350 | 0.87 | ALDH2 (0.52) | ALDH2MAOAMAOBLSSPIN1 | |
| SCHEMBL8478393 | 0.84 | ALDH2 (0.67) | ALDH2MAOAMAOBLSS | |
| SCHEMBL4896442 | 0.83 | ALDH2 (0.64) | ALDH2MAOAMAOBLSSPIN1 | |
| SCHEMBL4887390 | 0.80 | PIN1 (0.63) | ALDH2MAOAMAOBLSSPIN1 | |
| SCHEMBL31241609 | 0.78 | ALDH2 (0.79) | ALDH2MAOAMAOB | |
| SCHEMBL4745653 | 0.78 | PIN1 (0.73) | MAOAMAOBPIN1 | |
| SCHEMBL4745671 | 0.78 | PDK1 (0.60) | ALDH2 |
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-2008107321-A1 | HETEROCYCLIC COMPOUNDS USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS | CEREP (FR) | 2008-09-12 | — | — | WO | disclosed |