Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21553240 | 0.84 | MEN1 (0.38) | CYP2C9CYP1A2CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL21553294 | 0.83 | CYP2C9 (0.37) | CYP2C9CYP1A2CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL21553226 | 0.81 | PIM1 (0.38) | CYP2C9CYP1A2CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL16962472 | 0.81 | MEN1 (0.36) | CYP2C9CYP1A2CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL15609484 | 0.80 | PIM1 (0.40) | CYP2C9CYP1A2CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL15625144 | 0.80 | PIM1 (0.40) | CYP2C9CYP1A2CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL15625086 | 0.80 | PIM1 (0.40) | CYP2C9CYP1A2CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL21553248 | 0.80 | PIM1 (0.40) | CYP2C9CYP1A2CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL15625142 | 0.78 | PIM1 (0.42) | CYP2C9CYP1A2CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL15608559 | 0.78 | CYP2C9 (0.34) | CYP2C9CYP1A2CYP2C19CYP2D6CYP3A4 |
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-3119775-B1 | OXEPAN-2-YL-PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE | HOFFMANN LA ROCHE (CH) | 2019-11-06 | — | — | EP | disclosed |