Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 6/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 5/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 5/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | BLM | P54132 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | PDE5A | O76074 | 1/20 | 0.42 |
| ▸ | PTAFR | P25105 | 1/20 | 0.42 |
| ▸ | PDE1A | P54750 | 1/20 | 0.42 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7312406 | 0.92 | PDE3B (0.43) | KDM4EALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7317769 | 0.87 | PDE3B (0.45) | KDM4EALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7303943 | 0.87 | ALDH1A1 (0.53) | KDM4EALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7307939 | 0.87 | PDE3B (0.41) | KDM4EALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7313133 | 0.86 | ALDH1A1 (0.43) | KDM4EALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7347245 | 0.85 | ALDH1A1 (0.48) | KDM4EALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7316314 | 0.85 | ALDH1A1 (0.46) | KDM4EALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7316752 | 0.84 | ALDH1A1 (0.48) | KDM4EALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7317529 | 0.84 | ALDH1A1 (0.48) | KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL7313419 | 0.84 | PDE3B (0.48) | KDM4EALDH1A1CYP1A2CYP3A4CYP2C19 |
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-4277479-A | ANTI-ASTHMATIC, HYPOTENSIVE, ANTI-ULCER, ANTIINFLAMMATORY, VASODILATION, ENZYME INHIBITORS, ANTICOAGULANTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1981-07-07 | — | — | US | disclosed |