Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29267034 | 0.76 | IDO1 (0.36) | IDO1LMNAHPGD | |
| SCHEMBL31078313 | 0.76 | HRH4 (0.46) | CYP2A6KEAP1MAP4K1CYP3A4TSHR | |
| SCHEMBL3633987 | 0.73 | ERN1 (0.40) | CYP2A6LMNAHPGD | |
| SCHEMBL3636860 | 0.72 | CYP19A1 (0.38) | — | |
| SCHEMBL25686336 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL28359192 | 0.71 | PDE4A (0.39) | CYP2A6KEAP1LMNAHPGD | |
| SCHEMBL6194760 | 0.69 | PARP1 (0.46) | CYP2A6KEAP1CYP3A4TSHRLMNA | |
| SCHEMBL28796435 | 0.69 | ERN1 (0.41) | — | |
| SCHEMBL29635192 | 0.68 | NPY5R (0.43) | — | |
| SCHEMBL28796377 | 0.68 | NPY5R (0.43) | — |
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-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 |
| CN-113248472-A | Anti-osteoporosis compound and derivative thereof, pharmaceutical composition, preparation method and application | 中国药科大学 | 2021-08-13 | — | — | CN | disclosed |