Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.67 |
| ▸ | MEN1 | O00255 | 2/20 | 0.67 |
| ▸ | MAPT | P10636 | 2/20 | 0.67 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.56 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.56 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.56 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.56 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.56 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.56 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 4/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7769542 | 0.92 | HDAC3 (0.65) | ALDH1A1KMT2AMEN1MAPTHDAC3 | |
| SCHEMBL28497894 | 0.86 | NPC1 (0.63) | ALDH1A1KMT2AMEN1MAPTHPGD | |
| SCHEMBL6838525 | 0.85 | HDAC3 (0.60) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL3193858 | 0.85 | ALDH1A1 (0.59) | ALDH1A1KMT2AMEN1MAPTHPGD | |
| SCHEMBL9787091 | 0.85 | ALDH1A1 (0.59) | ALDH1A1KMT2AMEN1MAPTHPGD | |
| SCHEMBL2395083 | 0.84 | ALDH1A1 (0.65) | ALDH1A1KMT2AMAPTHPGDHDAC3 | |
| SCHEMBL7637081 | 0.84 | RAB9A (0.68) | ALDH1A1KMT2AMEN1MAPTHPGD | |
| SCHEMBL2549394 | 0.83 | ALDH1A1 (0.63) | ALDH1A1KMT2AMEN1MAPTHPGD | |
| SCHEMBL6826443 | 0.83 | KMT2A (0.63) | ALDH1A1KMT2AMEN1MAPTHPGD | |
| SCHEMBL9787103 | 0.83 | KMT2A (0.63) | ALDH1A1KMT2AMEN1MAPTHPGD |
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-112174793-B | Method and ligand for breaking C-S bond of alpha-thioaryl ethanone compound | 温州大学 | 2023-03-28 | — | — | CN | disclosed |
| CN-112174793-A | Method and ligand for breaking C-S bond of alpha-thioaryl ethanone compound | 温州大学 | 2021-01-05 | — | — | CN | disclosed |