Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 8/20 | 0.75 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.71 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.71 |
| ▸ | MAPT | P10636 | 3/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | UBE2N | P61088 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | IDH1 | O75874 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.43 |
| ▸ | TAS2R8 | Q9NYW2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 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 | |
|---|---|---|---|---|
| SCHEMBL8291275 | 0.86 | GAA (1.00) | GAACYP1A2CYP3A4CYP2C19MAPT | |
| SCHEMBL110364 | 0.84 | GAA (1.00) | GAACYP1A2CYP3A4CYP2C19MAPT | |
| SCHEMBL8290538 | 0.79 | MAPT (1.00) | GAACYP1A2CYP3A4CYP2C19MAPT | |
| SCHEMBL8291507 | 0.77 | GAA (0.62) | GAACYP1A2CYP3A4CYP2C19MAPT | |
| SCHEMBL12877356 | 0.74 | GAA (0.70) | GAACYP1A2CYP3A4CYP2C19MAPT | |
| SCHEMBL13879573 | 0.73 | GAA (0.78) | GAACYP1A2CYP3A4CYP2C19MAPT | |
| SCHEMBL13898831 | 0.72 | GAA (0.74) | GAACYP1A2CYP3A4CYP2C19MAPT | |
| SCHEMBL8289554 | 0.72 | GAA (0.75) | GAACYP1A2CYP3A4CYP2C19MAPT | |
| SCHEMBL8291488 | 0.72 | GAA (0.67) | GAACYP1A2CYP3A4CYP2C19MAPT | |
| SCHEMBL109040 | 0.71 | GAA (0.50) | GAAMAPTKDM4EALDH1A1POLB |
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-119176768-A | Preparation method and application of catechol derivatives and administration and preparation device | 海南大学 | 2024-12-24 | — | — | CN | disclosed |