Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | CNR2 | P34972 | 5/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.44 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL8322191 | 0.86 | GAA (0.50) | ALDH1A1CYP1A2CA12CYP3A4ATM | |
| SCHEMBL8187178 | 0.86 | GAA (0.50) | ALDH1A1CYP1A2CA12CYP3A4ATM | |
| SCHEMBL8206560 | 0.86 | GAA (0.50) | ALDH1A1CYP1A2CA12CYP3A4ATM | |
| SCHEMBL25973775 | 0.86 | ALDH1A1 (0.46) | ALDH1A1CA12CA9CNR2BCHE | |
| SCHEMBL28898434 | 0.85 | CYP24A1 (0.55) | ALDH1A1L3MBTL1POLBBCHEACHE | |
| SCHEMBL5245093 | 0.84 | GBA1 (0.46) | ALDH1A1CYP1A2CA12CYP3A4CA9 | |
| SCHEMBL5830519 | 0.84 | GBA1 (0.46) | ALDH1A1CYP1A2CA12CYP3A4CA9 | |
| SCHEMBL10932836 | 0.84 | GBA1 (0.46) | ALDH1A1CYP1A2CA12CYP3A4CA9 | |
| SCHEMBL29239458 | 0.83 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CA12CYP3A4ATM | |
| SCHEMBL605143 | 0.82 | ALDH1A1 (0.51) | ALDH1A1CYP1A2CA12CYP3A4ATM |
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-113698316-B | Preparation method of labetalol hydrochloride | 安徽美致诚药业有限公司 | 2022-04-19 | — | — | CN | disclosed |
| CN-113698316-A | Preparation method of labetalol hydrochloride | 安徽美致诚药业有限公司 | 2021-11-26 | — | — | CN | disclosed |