Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | PPARD | Q03181 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | TNF | P01375 | 2/20 | 0.44 |
| ▸ | PDE4A | P27815 | 2/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5743088 | 0.88 | CA12 (0.52) | ALDH1A1CYP2C19ACHECA1CA2 | |
| SCHEMBL9589367 | 0.87 | ALDH1A1 (0.55) | ALDH1A1CYP2C19ACHECA1CA2 | |
| Hydrochloric Acid SCHEMBL5743084 | 0.87 | CA12 (0.51) | ALDH1A1CYP2C19ACHECA1CA2 | |
| SCHEMBL7038489 | 0.86 | ACHE (0.59) | ALDH1A1CYP2C19ACHECA1CA2 | |
| SCHEMBL7361049 | 0.85 | PDE4A (0.53) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7040224 | 0.82 | ACHE (0.48) | ALDH1A1CYP2C19ACHECA1CA2 | |
| SCHEMBL25304057 | 0.81 | ALDH1A1 (0.49) | ALDH1A1CYP2C19ACHECA1CA2 | |
| SCHEMBL7307170 | 0.81 | ALDH1A1 (0.49) | ALDH1A1CYP2C19ACHEPPARGPPARD | |
| SCHEMBL28196332 | 0.80 | ACHE (0.49) | ALDH1A1ACHECA1CA2CA12 | |
| SCHEMBL7040046 | 0.79 | LMNA (0.55) | ALDH1A1ACHELMNAHPGDKCNQ2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4559403-A | FOR TREATMENT OF CEREBRAL AND CARDIAC ISCHEMIAS | HOFFMANN-LA ROCHE INC. (US) | 1985-12-17 | — | — | US | disclosed |
| US-4544657-A | ANTISCHEMIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1985-10-01 | — | — | US | disclosed |