Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL14261024 | 0.76 | ALDH1A1 (0.38) | ALDH1A1TP53TSHRSLC7A5CYP2C19 | |
| SCHEMBL9143730 | 0.76 | ALDH1A1 (0.38) | ALDH1A1TP53TSHRSLC7A5CYP2C19 | |
| SCHEMBL2244557 | 0.75 | ALDH1A1 (0.35) | ALDH1A1TP53TSHRSLC7A5CYP2C19 | |
| SCHEMBL17313435 | 0.75 | ALDH1A1 (0.35) | ALDH1A1TP53TSHRSLC7A5CYP2C19 | |
| SCHEMBL5514917 | 0.75 | TP53 (0.42) | ALDH1A1TP53TSHRSLC7A5 | |
| SCHEMBL13542998 | 0.75 | TP53 (0.42) | ALDH1A1TP53TSHRSLC7A5 | |
| SCHEMBL18583195 | 0.74 | ALDH1A1 (0.36) | ALDH1A1TP53TSHRSLC7A5 | |
| SCHEMBL20262331 | 0.72 | TP53 (0.35) | ALDH1A1TP53SLC7A5CYP2C19 | |
| SCHEMBL7650264 | 0.72 | CPT2 (0.38) | ALDH1A1TP53TSHRSLC7A5 | |
| SCHEMBL263616 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119224151-A | GC-MS detection method for malic acid derivative in tobacco | 中国烟草总公司郑州烟草研究院 | 2024-12-31 | — | — | CN | claimed |
| CN-119224151-A | GC-MS detection method for malic acid derivative in tobacco | 中国烟草总公司郑州烟草研究院 | 2024-12-31 | — | — | CN | disclosed |
| CN-119224151-A | GC-MS detection method for malic acid derivative in tobacco | 中国烟草总公司郑州烟草研究院 | 2024-12-31 | — | — | CN | disclosed |