Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2340681 | 0.92 | CYP2C9 (0.52) | CYP2C9CYP2C19ALDH1A1MAPTKDM4E | |
| SCHEMBL2332520 | 0.92 | CYP2C9 (0.52) | CYP2C9CYP2C19ALDH1A1MAPTKDM4E | |
| SCHEMBL14722794 | 0.86 | CYP2C9 (0.52) | CYP2C9CYP2C19ALDH1A1MAPTKDM4E | |
| SCHEMBL15960759 | 0.86 | CYP2C9 (0.52) | CYP2C9CYP2C19ALDH1A1MAPTKDM4E | |
| SCHEMBL2338041 | 0.86 | CYP2C9 (0.53) | CYP2C9CYP2C19ALDH1A1MAPTKDM4E | |
| SCHEMBL2335500 | 0.85 | CYP2C9 (0.54) | CYP2C9CYP2C19ALDH1A1MAPTKDM4E | |
| SCHEMBL2333455 | 0.85 | CYP2C9 (0.54) | CYP2C9CYP2C19ALDH1A1MAPTKDM4E | |
| SCHEMBL2338076 | 0.84 | CYP2C9 (0.51) | CYP2C9CYP2C19ALDH1A1MAPTKDM4E | |
| SCHEMBL2339912 | 0.84 | CYP2C9 (0.53) | CYP2C9CYP2C19ALDH1A1MAPTKDM4E | |
| SCHEMBL2336737 | 0.83 | CYP2C9 (0.56) | CYP2C9CYP2C19ALDH1A1MAPTKDM4E |
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 |