Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE6D | O43924 | 10/20 | 0.83 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | CDC25A | P30304 | 1/20 | 0.52 |
| ▸ | CDC25B | P30305 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28478618 | 0.85 | PDE6D (0.73) | PDE6DNPSR1MEN1KMT2ATSHR | |
| SCHEMBL28478269 | 0.85 | PDE6D (0.73) | PDE6DNPSR1MEN1KMT2ATSHR | |
| SCHEMBL28478379 | 0.80 | PDE6D (0.70) | PDE6DNPSR1MEN1KMT2ATSHR | |
| SCHEMBL3904873 | 0.79 | TSHR (0.67) | PDE6DMEN1KMT2ATSHRLMNA | |
| SCHEMBL13830905 | 0.79 | NPSR1 (0.75) | PDE6DNPSR1CDC25ACDC25BTSHR | |
| SCHEMBL28483626 | 0.79 | TSHR (0.64) | PDE6DMEN1KMT2ATSHRMAPT | |
| SCHEMBL13831928 | 0.78 | TSHR (0.70) | NPSR1MEN1KMT2ATSHRLMNA | |
| SCHEMBL13832027 | 0.76 | NPSR1 (0.70) | PDE6DNPSR1CDC25ACDC25BTSHR | |
| SCHEMBL13831519 | 0.76 | TSHR (0.67) | NPSR1KMT2ATSHRLMNAMAPT | |
| SCHEMBL4217492 | 0.74 | CYP3A4 (0.67) | PDE6DMEN1KMT2ATSHRLMNA |
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 |