Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
| ▸ | TTK | P33981 | 1/20 | 0.47 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.47 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.44 |
| ▸ | AXL | P30530 | 1/20 | 0.44 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.44 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28359047 | 1.00 | AURKA (0.47) | AURKATTKAURKBINCENPMEN1 | |
| SCHEMBL28359192 | 0.82 | PDE4A (0.39) | AURKATTKAURKBINCENPMEN1 | |
| SCHEMBL29635118 | 0.78 | CYP11B1 (0.52) | MAPTALKCYP11B2CYP11B1CYP2A6 | |
| SCHEMBL28796393 | 0.78 | NPY5R (0.44) | MAPTALKCYP11B2CYP11B1CYP19A1 | |
| SCHEMBL28359195 | 0.78 | CYP11B1 (0.52) | MAPTALKCYP11B2CYP11B1CYP2A6 | |
| SCHEMBL29635147 | 0.78 | NPY5R (0.44) | MAPTALKCYP11B2CYP11B1CYP19A1 | |
| SCHEMBL13812998 | 0.72 | CYP2A6 (0.52) | AURKATTKAURKBINCENPMEN1 | |
| SCHEMBL2377996 | 0.70 | MKNK1 (0.58) | AURKATTKAURKBINCENPMEN1 | |
| SCHEMBL19826261 | 0.70 | MKNK1 (0.49) | AURKATTKAURKBINCENPMEN1 | |
| SCHEMBL15984859 | 0.69 | CYP2A6 (0.62) | MEN1PSIP1AXLMKNK1MKNK2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113248472-B | Anti-osteoporosis compound and derivative thereof, pharmaceutical composition, preparation method and application | 中国药科大学 | 2022-06-28 | — | — | CN | disclosed |