Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.72 |
| ▸ | AR | P10275 | 4/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.72 |
| ▸ | HPGD | P15428 | 3/20 | 0.72 |
| ▸ | MAPT | P10636 | 2/20 | 0.72 |
| ▸ | TP53 | P04637 | 2/20 | 0.72 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.72 |
| ▸ | BCHE | P06276 | 1/20 | 0.64 |
| ▸ | ACHE | P22303 | 1/20 | 0.64 |
| ▸ | EGFR | P00533 | 1/20 | 0.63 |
| ▸ | RET | P07949 | 1/20 | 0.63 |
| ▸ | KDR | P35968 | 1/20 | 0.63 |
| ▸ | CREB1 | P16220 | 1/20 | 0.62 |
| ▸ | MEN1 | O00255 | 3/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL11652574 | 0.89 | ALDH1A1 (0.64) | ALDH1A1KDM4EARCYP3A4HPGD | |
| SCHEMBL9140082 | 0.88 | ALDH1A1 (0.67) | ALDH1A1KDM4EARCYP3A4HPGD | |
| SCHEMBL9139841 | 0.85 | HPGD (0.80) | ALDH1A1KDM4EARCYP3A4HPGD | |
| SCHEMBL28637046 | 0.85 | AR (0.67) | ALDH1A1KDM4EARCYP3A4HPGD | |
| SCHEMBL11651069 | 0.85 | ALDH1A1 (0.67) | ALDH1A1KDM4EARCYP3A4HPGD | |
| SCHEMBL1629391 | 0.84 | ALDH1A1 (1.00) | ALDH1A1KDM4EARCYP3A4HPGD | |
| SCHEMBL11651274 | 0.84 | ALDH1A1 (0.62) | ALDH1A1KDM4EARCYP3A4HPGD | |
| SCHEMBL11656201 | 0.84 | AR (0.65) | ALDH1A1KDM4EARCYP3A4HPGD | |
| SCHEMBL9141348 | 0.84 | ALDH1A1 (0.65) | ALDH1A1KDM4EARCYP3A4HPGD | |
| SCHEMBL9390377 | 0.84 | AR (0.65) | ALDH1A1KDM4EARCYP3A4HPGD |
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-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 |
| US-5399584-A | Preventing gastrointestinal damage caused by nonsteroidal antiinflammatory drugs | THE PROCTER & GAMBLE COMPANY (US) | 1995-03-21 | — | — | US | disclosed |