Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 4/20 | 0.37 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | CPB1 | P15086 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17320460 | 0.73 | CHRNB2 (0.41) | CYP2C19 | |
| SCHEMBL4354339 | 0.71 | CPB1 (0.40) | GAAEPHX2CPB1 | |
| SCHEMBL4354337 | 0.71 | CPB1 (0.40) | GAAEPHX2CPB1 | |
| SCHEMBL18459805 | 0.69 | ALDH1A1 (0.48) | GAAEGLN1ALDH1A1SMN1; SMN2HTT | |
| SCHEMBL2127005 | 0.68 | NFKB1 (0.37) | GAAALDH1A1 | |
| SCHEMBL24318092 | 0.68 | CA1 (0.44) | GAA | |
| SCHEMBL14671466 | 0.68 | CA1 (0.44) | GAA | |
| SCHEMBL16001854 | 0.68 | CA1 (0.44) | GAA | |
| SCHEMBL29483876 | 0.67 | CHRNB2 (0.36) | — | |
| SCHEMBL2125725 | 0.67 | CHRNB2 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9808459-B2 | Inhibitors of influenza viruses replication | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-11-07 | — | — | US | disclosed |