Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | GPX4 | P36969 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24881235 | 0.84 | HCAR2 (0.43) | HCAR2KEAP1NFE2L2ALDH1A1HTT | |
| SCHEMBL30333507 | 0.82 | CYP1A2 (0.37) | CYP3A4CYP2C19CYP1A2CYP2D6USP2 | |
| SCHEMBL27216580 | 0.79 | ALDH1A1 (0.47) | HCAR2KEAP1NFE2L2ALDH1A1HTT | |
| SCHEMBL2190802 | 0.78 | ALDH1A1 (0.53) | HCAR2KEAP1NFE2L2ALDH1A1HTT | |
| SCHEMBL2190798 | 0.78 | ALDH1A1 (0.53) | HCAR2KEAP1NFE2L2ALDH1A1HTT | |
| SCHEMBL30484336 | 0.76 | CYP1A2 (0.45) | ALDH1A1CYP3A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL22600556 | 0.73 | CYP2D6 (0.38) | ALDH1A1CYP3A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL24881236 | 0.72 | ALDH1A1 (0.38) | HCAR2KEAP1NFE2L2ALDH1A1HTT | |
| SCHEMBL19534271 | 0.70 | CYP1A2 (0.43) | ALDH1A1CYP3A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL30898063 | 0.70 | KDM1A (0.44) | HCAR2KEAP1NFE2L2ALDH1A1CYP3A4 |
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-115873069-A | Peptide amide compound, pharmaceutically acceptable salt and stereoisomer thereof, and application thereof | 天地恒一制药股份有限公司 | 2023-03-31 | — | — | CN | disclosed |