Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.66 |
| ▸ | AR | P10275 | 4/20 | 0.66 |
| ▸ | HPGD | P15428 | 3/20 | 0.66 |
| ▸ | MAPT | P10636 | 3/20 | 0.66 |
| ▸ | TP53 | P04637 | 2/20 | 0.66 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | BCHE | P06276 | 1/20 | 0.56 |
| ▸ | ACHE | P22303 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL29085507 | 0.90 | ALDH1A1 (0.63) | ALDH1A1CYP3A4KDM4EARHPGD | |
| SCHEMBL28632938 | 0.86 | CYP3A4 (0.71) | ALDH1A1CYP3A4KDM4EARHPGD | |
| SCHEMBL9137293 | 0.82 | ALDH1A1 (0.72) | ALDH1A1CYP3A4KDM4EARHPGD | |
| SCHEMBL9139841 | 0.81 | HPGD (0.80) | ALDH1A1CYP3A4KDM4EARHPGD | |
| SCHEMBL1629391 | 0.80 | ALDH1A1 (1.00) | ALDH1A1CYP3A4KDM4EARHPGD | |
| SCHEMBL11651074 | 0.80 | CYP3A4 (0.69) | ALDH1A1CYP3A4KDM4EARHPGD | |
| SCHEMBL9141348 | 0.80 | ALDH1A1 (0.65) | ALDH1A1CYP3A4KDM4EARHPGD | |
| SCHEMBL27888284 | 0.79 | AR (0.68) | ALDH1A1CYP3A4KDM4EARHPGD | |
| SCHEMBL9138586 | 0.79 | AR (0.72) | ALDH1A1CYP3A4KDM4EARHPGD | |
| SCHEMBL22076402 | 0.79 | BCHE (0.69) | ALDH1A1CYP3A4KDM4EHPGDMAPT |
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-113512018-B | Flavonoid compound and preparation method and application thereof | 合肥工业大学 | 2023-07-18 | — | — | CN | disclosed |
| CN-113512018-A | Flavonoid compound and preparation method and application thereof | 合肥工业大学 | 2021-10-19 | — | — | CN | disclosed |