Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE6D | O43924 | 9/20 | 0.72 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | MDH1 | P40925 | 2/20 | 0.44 |
| ▸ | GHSR | Q92847 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HAVCR2 | Q8TDQ0 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CDC25A | P30304 | 1/20 | 0.41 |
| ▸ | CDC25B | P30305 | 1/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28478423 | 0.85 | PDE6D (0.57) | PDE6DHIF1AALDH1A1HAVCR2NPSR1 | |
| SCHEMBL28478381 | 0.81 | PDE6D (0.70) | PDE6DGHSR | |
| SCHEMBL28478379 | 0.76 | PDE6D (0.70) | PDE6DALDH1A1NPSR1 | |
| SCHEMBL28482112 | 0.75 | PDE6D (0.60) | PDE6DHIF1AALDH1A1NTRK1 | |
| SCHEMBL28483906 | 0.74 | PDE6D (0.60) | PDE6DGHSRALDH1A1NPSR1 | |
| SCHEMBL28483515 | 0.70 | PDE6D (0.83) | PDE6DNPSR1CDC25ACDC25B | |
| SCHEMBL28489677 | 0.70 | PDE6D (0.56) | PDE6DALDH1A1NPSR1 | |
| SCHEMBL28489555 | 0.70 | PDE6D (0.55) | PDE6DALDH1A1NPSR1 | |
| SCHEMBL28481502 | 0.70 | KEAP1 (0.55) | PDE6DGHSRALDH1A1 | |
| SCHEMBL13693854 | 0.67 | GHSR (0.66) | GHSR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111875583-B | Triazole derivative and preparation method and application thereof | 中国科学院上海药物研究所 | 2021-06-15 | — | — | CN | disclosed |
| CN-109666022-B | Triazole derivative and preparation method and application thereof | 中国科学院上海药物研究所 | 2021-06-15 | — | — | CN | disclosed |
| CN-111875583-A | Triazole derivative and preparation method and application thereof | 中国科学院上海药物研究所 | 2020-11-03 | — | — | CN | disclosed |