Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK4 | Q16654 | 1/20 | 0.67 |
| ▸ | HTR6 | P50406 | 1/20 | 0.53 |
| ▸ | GRM1 | Q13255 | 11/20 | 0.52 |
| ▸ | GRM5 | P41594 | 11/20 | 0.52 |
| ▸ | NAMPT | P43490 | 1/20 | 0.51 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.47 |
| ▸ | JAK1 | P23458 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12712612 | 0.90 | PDK4 (0.69) | PDK4HTR6GRM1GRM5NAMPT | |
| SCHEMBL30432153 | 0.88 | PDK4 (0.64) | PDK4HTR6GRM1GRM5NAMPT | |
| SCHEMBL29029580 | 0.88 | PDK4 (0.64) | PDK4HTR6GRM1GRM5NAMPT | |
| SCHEMBL30259104 | 0.87 | PDK4 (0.63) | PDK4HTR6GRM1GRM5NAMPT | |
| SCHEMBL27237194 | 0.87 | PDK4 (0.63) | PDK4HTR6GRM1GRM5NAMPT | |
| SCHEMBL24792733 | 0.84 | PDK4 (0.60) | PDK4HTR6GRM1GRM5NAMPT | |
| SCHEMBL29709710 | 0.84 | PDK4 (0.60) | PDK4HTR6GRM1GRM5NAMPT | |
| SCHEMBL31150581 | 0.83 | PDK4 (0.67) | PDK4HTR6GRM1GRM5NAMPT | |
| SCHEMBL21855632 | 0.83 | PDK4 (0.67) | PDK4HTR6GRM1GRM5NAMPT | |
| SCHEMBL3436385 | 0.82 | PDK4 (0.69) | PDK4HTR6GRM1GRM5NAMPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-117177970-A | Polycyclic derivative regulator, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2023-12-05 | — | — | CN | disclosed |
| WO-2022228490-A1 | POLYCYCLIC DERIVATIVE MODULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翰森生物医药科技有限公司 | 2022-11-03 | — | — | WO | disclosed |