Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 2/20 | 0.45 |
| ▸ | NOS1 | P29475 | 4/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 2/20 | 0.32 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | TYK2 | P29597 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.31 |
| ▸ | SGK1 | O00141 | 1/20 | 0.30 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.30 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.30 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29209798 | 0.81 | TRPA1 (0.39) | TDO2NOS1TRPA1JAK2JAK1 | |
| SCHEMBL28502698 | 0.79 | TDO2 (0.45) | TDO2NOS1DYRK1ATRPA1JAK2 | |
| SCHEMBL19743438 | 0.75 | NOS1 (0.33) | TDO2NOS1TRPA1JAK2JAK1 | |
| SCHEMBL204492 | 0.74 | NOS1 (0.53) | TDO2NOS1DYRK1ATRPA1FGFR1 | |
| SCHEMBL30602751 | 0.72 | METAP2 (0.47) | TDO2NOS1DYRK1ATRPA1JAK2 | |
| SCHEMBL29092528 | 0.72 | METAP2 (0.47) | TDO2NOS1DYRK1ATRPA1JAK2 | |
| SCHEMBL31358022 | 0.71 | NOS1 (0.52) | NOS1TRPA1IDO1FGFR1ROCK1 | |
| SCHEMBL2430496 | 0.71 | NOS1 (0.50) | TDO2NOS1DYRK1AIDO1FGFR1 | |
| SCHEMBL19204860 | 0.71 | NOS1 (0.46) | TDO2NOS1DYRK1ATRPA1IDO1 | |
| SCHEMBL202508 | 0.71 | NOS1 (0.46) | TDO2NOS1DYRK1ATRPA1IDO1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024099269-A1 | ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, USE THEREOF | 华东师范大学 | 2024-05-16 | — | — | WO | disclosed |
| CN-118026880-A | Aryl amide compound, pharmaceutical composition containing same and application thereof | 华东师范大学 | 2024-05-14 | — | — | CN | disclosed |