Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | ACACB | O00763 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | GPR183 | P32249 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3748431 | 0.83 | CYP2D6 (0.50) | CYP1A2CYP2C9CYP2D6ALDH1A1SCD5 | |
| SCHEMBL20962689 | 0.82 | CYP2C9 (0.46) | CYP1A2CYP2C9CYP2D6ALDH1A1SCD5 | |
| SCHEMBL616762 | 0.82 | SCD5 (0.46) | CYP1A2CYP2C9CYP2D6ALDH1A1SCD5 | |
| SCHEMBL23906185 | 0.81 | CYP11B2 (0.52) | CYP1A2CYP2C9CYP2D6ALDH1A1SCD5 | |
| SCHEMBL25275679 | 0.81 | CYP11B2 (0.52) | CYP1A2CYP2C9CYP2D6ALDH1A1SCD5 | |
| SCHEMBL25052826 | 0.81 | HPGD (0.46) | CYP1A2CYP2C9CYP2D6ALDH1A1SCD5 | |
| SCHEMBL14240265 | 0.81 | HPGD (0.46) | CYP1A2CYP2C9CYP2D6ALDH1A1SCD5 | |
| SCHEMBL21733009 | 0.81 | CYP11B2 (0.45) | CYP1A2CYP2C9CYP2D6ALDH1A1SCD5 | |
| SCHEMBL18390156 | 0.81 | USP2 (0.60) | CYP1A2CYP2C9CYP2D6ALDH1A1SCD5 | |
| SCHEMBL18389855 | 0.81 | CYP3A4 (0.59) | CYP1A2CYP2C9CYP2D6ALDH1A1SCD5 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019009370-A1 | AMIDE DERIVATIVE | 大日本住友製薬株式会社 | 2019-01-10 | — | — | WO | disclosed |