Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.64 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | ABCG2 | Q9UNQ0 | 5/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.52 |
| ▸ | AXL | P30530 | 1/20 | 0.52 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.52 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.52 |
| ▸ | PDE5A | O76074 | 6/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL20273785 | 0.92 | CYP1A2 (0.65) | CYP1A2CYP3A4CLK4CYP2C19HSD17B10 | |
| SCHEMBL14475618 | 0.90 | CYP1A2 (0.70) | CYP1A2CYP3A4CLK4CYP2C19HSD17B10 | |
| SCHEMBL14475902 | 0.90 | CYP1A2 (0.73) | CYP1A2CYP3A4CLK4CYP2C19HSD17B10 | |
| SCHEMBL14475161 | 0.89 | CYP1A2 (0.72) | CYP1A2CYP3A4CLK4CYP2C19HSD17B10 | |
| SCHEMBL14475073 | 0.89 | CYP1A2 (0.76) | CYP1A2CYP3A4CLK4CYP2C19HSD17B10 | |
| SCHEMBL14475835 | 0.89 | CYP1A2 (0.76) | CYP1A2CYP3A4CLK4CYP2C19HSD17B10 | |
| SCHEMBL14727977 | 0.87 | CYP1A2 (0.65) | CYP1A2CYP3A4CLK4CYP2C19HSD17B10 | |
| SCHEMBL14475852 | 0.87 | CYP1A2 (0.65) | CYP1A2CYP3A4CLK4CYP2C19HSD17B10 | |
| SCHEMBL14475877 | 0.86 | CLK4 (0.64) | CYP1A2CYP3A4CLK4CYP2C19HSD17B10 | |
| SCHEMBL2154673 | 0.86 | CYP1A2 (0.64) | CYP1A2CYP3A4CLK4CYP2C19HSD17B10 |
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-3056207-B1 | THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE | OTSUKA PHARMA CO LTD (JP) | 2018-06-20 | — | — | EP | disclosed |