Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PIK3C3 | Q8NEB9 | 9/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.30 |
| ▸ | SCN10A | Q9Y5Y9 | 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 | |
|---|---|---|---|---|
| SCHEMBL25043947 | 0.75 | PIK3C3 (0.33) | ALDH1A1PIK3C3PDE4A | |
| SCHEMBL24845143 | 0.75 | DRD2 (0.32) | — | |
| SCHEMBL16609902 | 0.72 | NOS1 (0.42) | — | |
| SCHEMBL761295 | 0.72 | NOS1 (0.42) | — | |
| SCHEMBL16609886 | 0.72 | NOS1 (0.42) | — | |
| SCHEMBL9260600 | 0.71 | GRM5 (0.40) | ALDH1A1 | |
| SCHEMBL18390617 | 0.71 | HTR2A (0.42) | — | |
| SCHEMBL27042680 | 0.70 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL27042687 | 0.70 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL11540063 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023016521-A1 | SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | 上海赛默罗生物科技有限公司 | 2023-02-16 | — | — | WO | disclosed |