Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.57 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | LDHA | P00338 | 1/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.49 |
| ▸ | PPARD | Q03181 | 1/20 | 0.49 |
| ▸ | PPARA | Q07869 | 1/20 | 0.49 |
| ▸ | STAT3 | P40763 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5114907 | 0.87 | CA2 (0.59) | CA2CYP19A1ATMKDM4EALDH1A1 | |
| SCHEMBL5114730 | 0.85 | CA2 (0.61) | CA2CYP19A1ATMKDM4EALDH1A1 | |
| SCHEMBL28409555 | 0.84 | CA2 (0.55) | CA2CYP19A1ATMKDM4EALDH1A1 | |
| SCHEMBL74008 | 0.82 | CA2 (0.63) | CA2CYP19A1ATMKDM4EALDH1A1 | |
| SCHEMBL15569845 | 0.82 | CA2 (0.53) | CA2CYP19A1ATMKDM4EALDH1A1 | |
| SCHEMBL11552660 | 0.80 | CA2 (0.55) | CA2CYP19A1ATMKDM4EALDH1A1 | |
| SCHEMBL31432907 | 0.80 | CYP19A1 (0.50) | CA2CYP19A1ATMKDM4EALDH1A1 | |
| SCHEMBL31149052 | 0.80 | CYP19A1 (0.50) | CA2CYP19A1ATMKDM4EALDH1A1 | |
| Boric Acid SCHEMBL38657173 | 0.80 | CA2 (0.50) | CA2CYP19A1ATMKDM4EALDH1A1 | |
| SCHEMBL8995744 | 0.80 | LDHA (0.55) | CA2CYP19A1ALDH1A1LDHAPPARA |
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-115073353-A | Lignan derivative and preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2022-09-20 | — | — | CN | disclosed |