Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | TNF | P01375 | 5/20 | 0.46 |
| ▸ | PDE4A | P27815 | 2/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PPARD | Q03181 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7311711 | 0.84 | KMT2A (0.44) | ALDH1A1 | |
| SCHEMBL9589367 | 0.83 | ALDH1A1 (0.55) | ALDH1A1CYP2C19ACHEPPARGPPARD | |
| SCHEMBL25304057 | 0.83 | ALDH1A1 (0.49) | ALDH1A1CYP2C19PDE4DACHELMNA | |
| SCHEMBL21465795 | 0.81 | ALDH1A1 (0.49) | ALDH1A1LMNA | |
| SCHEMBL11001026 | 0.81 | ALDH1A1 (0.52) | ALDH1A1CYP2C19TNFPDE4APDE4B | |
| SCHEMBL9000813 | 0.81 | EPHX2 (0.48) | ALDH1A1CYP2C19SMN1; SMN2 | |
| SCHEMBL8358415 | 0.80 | PPARG (0.50) | ALDH1A1CYP2C19TNFPDE4APDE4B | |
| SCHEMBL25262193 | 0.80 | CYP2C19 (0.46) | ALDH1A1CYP2C19TNFPDE4APDE4B | |
| SCHEMBL8358428 | 0.79 | GAA (0.50) | ALDH1A1CYP2C19TNFPDE4APDE4B | |
| SCHEMBL19586242 | 0.78 | HPGD (0.49) | ALDH1A1LMNAHPGD |
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-4880817-A | O-functionalized derivatives of substituted isoquinolin-3-ols having cardiotonic and/or phosphodiesterase fraction III inhibiting properties and/or renal vasodilating properties | ORTHO PHARMACEUTICAL CORPORATION (US) | 1989-11-14 | — | — | US | disclosed |
| US-4822800-A | Isoquinolinol compounds having cardiotonic and phosphodiesterase fraction III inhibiting properties and/or renal vasodilating properties | ORTHO PHARMACEUTICAL CORPORATION (US) | 1989-04-18 | — | — | US | disclosed |