Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 7/20 | 0.41 |
| ▸ | JAK3 | P52333 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | JAK1 | P23458 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29851507 | 1.00 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19HSD11B1JAK3 | |
| SCHEMBL25047230 | 1.00 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19HSD11B1JAK3 | |
| SCHEMBL30757919 | 0.86 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19HSD11B1ALDH1A1 | |
| SCHEMBL23480109 | 0.86 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19HSD11B1ALDH1A1 | |
| SCHEMBL23480038 | 0.85 | HSD11B1 (0.42) | CYP3A4CYP2C9CYP2C19HSD11B1ALDH1A1 | |
| SCHEMBL25047487 | 0.85 | HSD11B1 (0.42) | CYP3A4CYP2C9CYP2C19HSD11B1ALDH1A1 | |
| SCHEMBL29170993 | 0.85 | HSD11B1 (0.42) | CYP3A4CYP2C9CYP2C19HSD11B1ALDH1A1 | |
| SCHEMBL29851378 | 0.85 | HSD11B1 (0.42) | CYP3A4CYP2C9CYP2C19HSD11B1ALDH1A1 | |
| SCHEMBL23479973 | 0.85 | CYP3A4 (0.59) | CYP3A4CYP2C9CYP2C19ALDH1A1LMNA | |
| SCHEMBL23466886 | 0.84 | ALDH1A1 (0.43) | CYP3A4CYP2C9CYP2C19HSD11B1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114929675-B | Adamantane derivatives as focal adhesion kinase inhibitors | 三进制药株式会社 | 2024-02-13 | — | — | CN | disclosed |
| CN-114929675-A | Novel adamantane derivatives as inhibitors of focal adhesion kinase | 三进制药株式会社 | 2022-08-19 | — | — | CN | disclosed |