Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | ADH5 | P11766 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | PRKDC | P78527 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9700827 | 0.88 | ALDH1A1 (0.54) | ALDH1A1KDM4ECYP3A4CYP1A2CYP2D6 | |
| SCHEMBL9699721 | 0.80 | ALDH1A1 (0.43) | ALDH1A1KDM4ECYP3A4CYP1A2CYP2D6 | |
| SCHEMBL9700757 | 0.74 | SMN1; SMN2 (0.45) | ALDH1A1KDM4ECYP3A4MAPTALOX15 | |
| SCHEMBL5395513 | 0.72 | ALDH1A1 (0.54) | ALDH1A1KDM4ECYP3A4CYP1A2CYP2D6 | |
| Ethylene SCHEMBL8307653 | 0.71 | BACE1 (0.45) | ALDH1A1KDM4ECYP3A4CYP19A1CYP2C19 | |
| 2-Nitrobenzaldehyde SCHEMBL9010354 | 0.71 | ERN1 (0.46) | ALDH1A1KDM4ECYP19A1MAPTRAB9A | |
| SCHEMBL9700828 | 0.71 | ALDH1A1 (0.50) | ALDH1A1KDM4ECYP3A4CYP1A2CYP2D6 | |
| SCHEMBL9050387 | 0.69 | ALDH1A1 (0.47) | ALDH1A1KDM4ECYP3A4CYP2C19MAPT | |
| SCHEMBL1829852 | 0.69 | ALDH1A1 (0.47) | ALDH1A1KDM4ECYP3A4CYP1A2CYP2D6 | |
| SCHEMBL9052138 | 0.66 | ALDH1A1 (0.43) | ALDH1A1KDM4ECYP3A4MAPTALOX15 |
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 |