Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 7/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.53 |
| ▸ | CYP1B1 | Q16678 | 7/20 | 0.53 |
| ▸ | BCL9 | O00512 | 2/20 | 0.47 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | MGAM | O43451 | 2/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.42 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29129556 | 0.82 | MAOA (0.57) | CYP1A1CYP1A2CYP1B1ALDH1A1KDM4E | |
| SCHEMBL27613215 | 0.75 | CYP1A1 (0.64) | CYP1A1CYP1A2CYP1B1BCL9CTNNB1 | |
| SCHEMBL29129550 | 0.75 | MAPT (0.39) | CYP1A1CYP1A2CYP1B1ALDH1A1KDM4E | |
| SCHEMBL30589558 | 0.74 | ABCB1 (0.61) | CYP1A1CYP1A2CYP1B1BCL9CTNNB1 | |
| SCHEMBL4287580 | 0.73 | BCL9 (0.55) | CYP1A1CYP1A2CYP1B1BCL9CTNNB1 | |
| SCHEMBL31065460 | 0.70 | ALDH1A1 (0.68) | BCL9CTNNB1ALDH1A1KDM4EMAPT | |
| SCHEMBL28816830 | 0.69 | MAPT (0.66) | CYP1A1CYP1A2CYP1B1BCL9CTNNB1 | |
| SCHEMBL4282126 | 0.69 | ABCG2 (0.69) | CYP1A1CYP1A2CYP1B1BCL9CTNNB1 | |
| SCHEMBL8541548 | 0.69 | MAPT (0.64) | CYP1A1CYP1A2CYP1B1BCL9CTNNB1 | |
| SCHEMBL380907 | 0.68 | ADORA3 (0.73) | BCL9CTNNB1ALDH1A1KDM4EMAPT |
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-117247370-A | Method for synthesizing thioflavonoids based on alkyne thiocarboxyl | 四川大学 | 2023-12-19 | — | — | CN | disclosed |