Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | PORCN | Q9H237 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | IMPDH2 | P12268 | 5/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 2/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2335260 | 0.90 | CYP2C9 (0.48) | CYP2C9CYP2C19ALDH1A1KDM4EMAPT | |
| SCHEMBL2331842 | 0.88 | CYP2C9 (0.47) | CYP2C9CYP2C19ALDH1A1KDM4EMAPT | |
| SCHEMBL2334996 | 0.85 | CYP2C9 (0.48) | CYP2C9CYP2C19ALDH1A1KDM4EMAPT | |
| SCHEMBL2331445 | 0.79 | CYP2C9 (0.53) | CYP2C9CYP2C19ALDH1A1KDM4EMAPT | |
| SCHEMBL2337992 | 0.77 | CYP2C9 (0.50) | CYP2C9CYP2C19ALDH1A1KDM4EMAPT | |
| SCHEMBL2334769 | 0.77 | CYP2C9 (0.48) | CYP2C9CYP2C19ALDH1A1KDM4EMAPT | |
| SCHEMBL2338723 | 0.77 | CYP2C9 (0.53) | CYP2C9CYP2C19ALDH1A1KDM4EMAPT | |
| SCHEMBL2331641 | 0.77 | ALDH1A1 (0.54) | CYP2C9CYP2C19ALDH1A1KDM4EMAPT | |
| SCHEMBL2338922 | 0.77 | CYP2C9 (0.52) | CYP2C9CYP2C19ALDH1A1KDM4EMAPT | |
| SCHEMBL2334746 | 0.76 | CYP2C9 (0.49) | CYP2C9CYP2C19ALDH1A1KDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2358682-A2 | ISOQUINOLONE DERIVATIVES AS INHIBITORS OF PLAVIVIRUS REPLICATION | Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) | 2011-08-24 | — | — | EP | disclosed |