Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2338720 | 0.83 | CYP2C9 (0.49) | CYP2C9CYP2C19ALDH1A1KDM4EMAPT | |
| SCHEMBL2334897 | 0.82 | ALDH1A1 (0.49) | CYP2C9CYP2C19ALDH1A1KDM4EMAPT | |
| SCHEMBL2338028 | 0.81 | CYP2C9 (0.51) | CYP2C9CYP2C19ALDH1A1KDM4EMAPT | |
| SCHEMBL2331649 | 0.79 | CYP2C9 (0.47) | CYP2C9CYP2C19ALDH1A1KDM4EMAPT | |
| SCHEMBL2337992 | 0.77 | CYP2C9 (0.50) | CYP2C9CYP2C19ALDH1A1KDM4EMAPT | |
| SCHEMBL2335941 | 0.75 | CYP2C9 (0.53) | CYP2C9CYP2C19ALDH1A1KDM4EMAPT | |
| SCHEMBL2337616 | 0.74 | CYP2C9 (0.53) | CYP2C9CYP2C19ALDH1A1KDM4EMAPT | |
| SCHEMBL2331446 | 0.74 | CYP2C9 (0.51) | CYP2C9CYP2C19ALDH1A1KDM4EMAPT | |
| SCHEMBL2331641 | 0.73 | ALDH1A1 (0.54) | CYP2C9CYP2C19ALDH1A1KDM4EMAPT | |
| SCHEMBL2337982 | 0.73 | CYP2C9 (0.47) | 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 |