Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.54 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.54 |
| ▸ | PLK1 | P53350 | 2/20 | 0.35 |
| ▸ | MAP2K4 | P45985 | 4/20 | 0.35 |
| ▸ | BRD4 | O60885 | 2/20 | 0.34 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.33 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | PARG | Q86W56 | 1/20 | 0.32 |
| ▸ | KIT | P10721 | 3/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3921871 | 0.92 | CYP2C9 (0.55) | CYP2C9NR1I2PLK1BRD4PARG | |
| SCHEMBL3921480 | 0.92 | CYP2C9 (0.55) | CYP2C9NR1I2PLK1BRD4PARG | |
| SCHEMBL4065119 | 0.91 | CYP2C9 (0.54) | CYP2C9NR1I2PLK1BRD4PARG | |
| SCHEMBL4073002 | 0.90 | CYP2C9 (0.42) | CYP2C9NR1I2MAP2K4BRD4MAP2K7 | |
| SCHEMBL3924684 | 0.89 | CYP2C9 (0.56) | CYP2C9NR1I2BRD4PARGPTGDR2 | |
| SCHEMBL4072462 | 0.89 | CYP2C9 (0.52) | CYP2C9NR1I2PLK1BRD4PARG | |
| SCHEMBL3929718 | 0.85 | CYP2C9 (0.54) | CYP2C9NR1I2PLK1PTGDR2 | |
| SCHEMBL4067186 | 0.84 | CYP2C9 (0.49) | CYP2C9NR1I2PLK1PARGPTGDR2 | |
| SCHEMBL3921287 | 0.84 | CYP2C9 (0.72) | CYP2C9NR1I2PLK1PTGDR2 | |
| SCHEMBL3922170 | 0.83 | CYP2C9 (0.54) | CYP2C9NR1I2PLK1 |
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-1786807-B1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2009-07-29 | — | — | EP | claimed |