Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH5 | P11766 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 3/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1830492 | 0.87 | ADH5 (0.46) | ADH5CYP3A4CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL8696264 | 0.82 | CYP3A4 (0.47) | ADH5CYP3A4CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL7404600 | 0.81 | ALDH1A1 (0.51) | ADH5CYP3A4CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL8694716 | 0.79 | ADH5 (0.44) | ADH5CYP3A4CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL8694730 | 0.79 | CYP3A4 (0.44) | ADH5CYP3A4CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL8694865 | 0.77 | CYP3A4 (0.46) | ADH5CYP3A4CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL8694727 | 0.77 | CYP3A4 (0.43) | ADH5CYP3A4CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL3830592 | 0.77 | ALDH1A1 (0.47) | ADH5CYP3A4CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL9700828 | 0.77 | ALDH1A1 (0.50) | ADH5CYP3A4CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL10900003 | 0.76 | ALDH1A1 (0.50) | ADH5CYP3A4CYP1A2CYP2D6CYP19A1 |
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-5171851-A | Cardiac stimulant | DONG-A PHARM. CO., LTD. (KR) | 1992-12-15 | — | — | US | disclosed |
| EP-0510235-A1 | Novel benzoxazine or benzothiazine derivatives and process for the preparation of the same | DONG-A PHARM. CO., LTD. (KR) | 1992-10-28 | — | — | EP | disclosed |