Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29209665 | 1.00 | PDK2 (0.35) | PDK2PDK4HTR1DHTR1BALDH1A1 | |
| SCHEMBL30900914 | 0.73 | PDK2 (0.38) | PDK2PDK4 | |
| SCHEMBL29209733 | 0.72 | ALDH1A1 (0.36) | ALDH1A1TSHR | |
| SCHEMBL18585585 | 0.65 | TDP1 (0.50) | ALDH1A1TSHR | |
| SCHEMBL29209737 | 0.65 | BACE1 (0.30) | — | |
| SCHEMBL24988936 | 0.63 | ALDH1A1 (0.39) | ALDH1A1TSHR | |
| SCHEMBL11423479 | 0.62 | PSMB5 (0.42) | ALDH1A1TSHR | |
| SCHEMBL31586560 | 0.61 | ALOX15 (0.50) | ALDH1A1 | |
| SCHEMBL24215575 | 0.61 | CD44 (0.39) | TSHR | |
| SCHEMBL2771976 | 0.61 | CYP3A4 (0.33) | ALDH1A1TSHR |
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-118026880-A | Aryl amide compound, pharmaceutical composition containing same and application thereof | 华东师范大学 | 2024-05-14 | — | — | CN | disclosed |