Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.60 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | TERT | O14746 | 8/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9976086 | 0.84 | ALDH1A1 (0.62) | CYP3A4CYP2C19CYP1A2NCOA1NCOA3 | |
| SCHEMBL4649487 | 0.78 | CYP3A4 (0.76) | CYP3A4CYP2C19CYP1A2NCOA1NCOA3 | |
| SCHEMBL29612043 | 0.78 | TERT (0.77) | CYP3A4CYP2C19CYP1A2NCOA1NCOA3 | |
| SCHEMBL5617428 | 0.78 | ODC1 (0.65) | CYP3A4CYP2C19CYP1A2NCOA1NCOA3 | |
| SCHEMBL988001 | 0.78 | TERT (0.77) | CYP3A4CYP2C19CYP1A2NCOA1NCOA3 | |
| SCHEMBL6801603 | 0.77 | CYP3A4 (0.65) | CYP3A4CYP2C19CYP1A2NCOA1NCOA3 | |
| SCHEMBL6616218 | 0.77 | CYP3A4 (0.73) | CYP3A4CYP2C19CYP1A2NCOA1NCOA3 | |
| SCHEMBL6612282 | 0.77 | TUBB4A (0.76) | CYP3A4CYP2C19CYP1A2NCOA1NCOA3 | |
| SCHEMBL21647169 | 0.76 | CYP1A2 (0.73) | CYP3A4CYP2C19CYP1A2NCOA1NCOA3 | |
| SCHEMBL14286203 | 0.76 | CYP1A2 (1.00) | CYP3A4CYP2C19CYP1A2NCOA1NCOA3 |
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-110498784-B | Nobiletin derivatives or pharmaceutically acceptable salts thereof, and preparation method and application thereof | 广东克冠达医药科技有限公司 | 2022-06-14 | — | — | CN | disclosed |