Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE6D | O43924 | 7/20 | 0.70 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALPL | P05186 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL28483515 | 0.80 | PDE6D (0.83) | PDE6DMAPTNPSR1MEN1KMT2A | |
| SCHEMBL28478618 | 0.77 | PDE6D (0.73) | PDE6DNPSR1ALDH1A1GAAMAPK1 | |
| SCHEMBL28478269 | 0.77 | PDE6D (0.73) | PDE6DNPSR1ALDH1A1MAPK1MEN1 | |
| SCHEMBL28478420 | 0.76 | PDE6D (0.72) | PDE6DNPSR1ALDH1A1 | |
| SCHEMBL28478423 | 0.75 | PDE6D (0.57) | PDE6DNPSR1ALDH1A1MEN1KMT2A | |
| SCHEMBL3904873 | 0.71 | TSHR (0.67) | PDE6DALDH1A1GAAMAPK1SMN1; SMN2 | |
| SCHEMBL28483626 | 0.71 | TSHR (0.64) | PDE6DMAPTALDH1A1GAAMAPK1 | |
| SCHEMBL13830905 | 0.69 | NPSR1 (0.75) | PDE6DMAPTNPSR1ALDH1A1GAA | |
| SCHEMBL13832027 | 0.68 | NPSR1 (0.70) | PDE6DHTTMAPTNPSR1ALDH1A1 | |
| SCHEMBL28485108 | 0.67 | PDE6D (0.59) | PDE6DALDH1A1GAAMEN1KMT2A |
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 |