Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3C3 | Q8NEB9 | 6/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 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 | |
|---|---|---|---|---|
| SCHEMBL21909816 | 0.79 | PIK3C3 (0.31) | PIK3C3 | |
| SCHEMBL25045345 | 0.78 | PDE7A (0.41) | — | |
| SCHEMBL24418400 | 0.76 | HTR2A (0.42) | — | |
| SCHEMBL18569697 | 0.76 | HTR2A (0.33) | — | |
| SCHEMBL25045258 | 0.75 | ALDH1A1 (0.35) | PIK3C3ALDH1A1PDE4A | |
| SCHEMBL12267884 | 0.74 | HTR2A (0.39) | PIK3C3 | |
| SCHEMBL14329347 | 0.74 | HTR2A (0.39) | PIK3C3 | |
| SCHEMBL8260056 | 0.74 | HTR2A (0.39) | PIK3C3 | |
| SCHEMBL11540063 | 0.74 | — | — | |
| SCHEMBL14329369 | 0.73 | HTR2B (0.36) | — |
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 |