Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.64 |
| ▸ | MAPT | P10636 | 3/20 | 0.64 |
| ▸ | HTT | P42858 | 1/20 | 0.64 |
| ▸ | GAA | P10253 | 2/20 | 0.63 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2333798 | 0.95 | GAA (0.61) | CYP2C9CYP2C19ALDH1A1KDM4EMAPT | |
| SCHEMBL2337037 | 0.95 | CYP2C9 (0.73) | CYP2C9CYP2C19ALDH1A1KDM4EMAPT | |
| SCHEMBL2330237 | 0.89 | GAA (0.62) | CYP2C9CYP2C19ALDH1A1KDM4EMAPT | |
| SCHEMBL2335360 | 0.89 | GAA (0.69) | CYP2C9CYP2C19ALDH1A1KDM4EMAPT | |
| SCHEMBL2334762 | 0.89 | CYP2C9 (0.64) | CYP2C9CYP2C19ALDH1A1KDM4EMAPT | |
| SCHEMBL2336094 | 0.88 | GAA (0.67) | CYP2C9CYP2C19ALDH1A1KDM4EMAPT | |
| SCHEMBL2334971 | 0.87 | GAA (0.66) | CYP2C9CYP2C19ALDH1A1KDM4EMAPT | |
| SCHEMBL2336153 | 0.84 | GAA (0.64) | CYP2C9CYP2C19ALDH1A1KDM4EMAPT | |
| SCHEMBL2331052 | 0.83 | GAA (0.61) | CYP2C9CYP2C19ALDH1A1KDM4EMAPT | |
| SCHEMBL2339500 | 0.83 | GAA (0.70) | 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 |