Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | CASR | P41180 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | LTC4S | Q16873 | 1/20 | 0.49 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.48 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.48 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.48 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.48 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.48 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.48 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.48 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | METAP2 | P50579 | 1/20 | 0.46 |
| ▸ | METAP1 | P53582 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL12871845 | 1.00 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP2C9CYP2C19CASR | |
| Hydrochloric Acid SCHEMBL607851 | 0.98 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19CASR | |
| SCHEMBL25453200 | 0.92 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2C9CYP2C19CASR | |
| SCHEMBL13302605 | 0.92 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2C9CYP2C19CASR | |
| SCHEMBL6222832 | 0.91 | SLC6A4 (0.51) | ALDH1A1CYP1A2CYP2C9CYP2C19CASR | |
| SCHEMBL28546234 | 0.91 | SLC6A4 (0.51) | ALDH1A1CYP1A2CYP2C9CYP2C19CASR | |
| SCHEMBL21836253 | 0.85 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP2C9CYP2C19CASR | |
| SCHEMBL21836254 | 0.85 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP2C9CYP2C19CASR | |
| SCHEMBL1253481 | 0.85 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19CASR | |
| SCHEMBL19286310 | 0.85 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19CASR |
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-109336887-B | Benzimidazole chiral heterocyclic compound and preparation method and application thereof | 中山大学 | 2021-12-17 | — | — | CN | claimed |
| CN-109336887-B | Benzimidazole chiral heterocyclic compound and preparation method and application thereof | 中山大学 | 2021-12-17 | — | — | CN | disclosed |
| WO-2014001075-A1 | PROCESS FOR RACEMIZING OPTICALLY ACTIVE ARYLALKYLAMINES | BASF SE (DE) | 2014-01-03 | — | — | WO | disclosed |