Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.39 |
| ▸ | AMPD2 | Q01433 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.37 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.37 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.37 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.36 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.36 |
| ▸ | SCN1A | P35498 | 1/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13228067 | 0.82 | LMNA (0.48) | ALDH1A1TSHRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1228003 | 0.75 | ALDH1A1 (0.41) | ALDH1A1TSHRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28124711 | 0.74 | MEN1 (0.34) | ALDH1A1KDM1ARCOR1 | |
| SCHEMBL30947369 | 0.73 | KCNH2 (0.48) | ALDH1A1TSHRSLC6A4KCNH2SLC6A3 | |
| SCHEMBL15569872 | 0.72 | PAX8 (0.40) | ALDH1A1TSHRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28124690 | 0.71 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19LMNAAMPD2 | |
| SCHEMBL28536052 | 0.70 | SLC6A4 (0.42) | ALDH1A1TSHRSLC6A4KCNH2SLC6A3 | |
| SCHEMBL5544492 | 0.70 | LSS (0.42) | TSHRCYP3A4CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL1826744 | 0.69 | AKT2 (0.53) | ALDH1A1TSHRLMNASLC6A4KCNH2 | |
| SCHEMBL13262052 | 0.69 | LMNA (0.45) | ALDH1A1TSHRCYP3A4CYP2C9CYP2C19 |
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-104755473-B | 2,3 benzodiazepine * | 拜耳医药股份有限公司 | 2017-03-08 | — | — | CN | disclosed |