Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.49 |
| ▸ | RORC | P51449 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | PCK1 | P35558 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | P4HB | P07237 | 3/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PARG | Q86W56 | 1/20 | 0.32 |
| ▸ | PLK1 | P53350 | 1/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.32 |
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 | 0.86 | CYP2C9 (0.55) | CYP2C9NR1I2RORCPARGPLK1 | |
| SCHEMBL4065119 | 0.86 | CYP2C9 (0.54) | CYP2C9NR1I2PARGPLK1 | |
| SCHEMBL3924684 | 0.85 | CYP2C9 (0.56) | CYP2C9NR1I2RORCALDH1A1PTGDR2 | |
| SCHEMBL3921480 | 0.85 | CYP2C9 (0.55) | CYP2C9NR1I2PTGDR2PARGPLK1 | |
| SCHEMBL4065684 | 0.84 | CYP2C9 (0.54) | CYP2C9NR1I2PTGDR2PARGPLK1 | |
| SCHEMBL4072462 | 0.84 | CYP2C9 (0.52) | CYP2C9NR1I2PTGDR2PARGPLK1 | |
| SCHEMBL3929718 | 0.80 | CYP2C9 (0.54) | CYP2C9NR1I2PTGDR2PLK1 | |
| SCHEMBL3922170 | 0.78 | CYP2C9 (0.54) | CYP2C9NR1I2PLK1 | |
| SCHEMBL3921287 | 0.78 | CYP2C9 (0.72) | CYP2C9NR1I2PTGDR2HTTPLK1 | |
| SCHEMBL3922147 | 0.77 | CYP2C9 (0.43) | CYP2C9NR1I2RORCPARGPLK1 |
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 |