Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE6D | O43924 | 9/20 | 0.70 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | GHSR | Q92847 | 6/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28483906 | 0.84 | PDE6D (0.60) | PDE6DMEN1KMT2AOPRK1GHSR | |
| SCHEMBL28478618 | 0.83 | PDE6D (0.73) | PDE6DMEN1KMT2AOPRK1 | |
| SCHEMBL28478420 | 0.81 | PDE6D (0.72) | PDE6DGHSR | |
| SCHEMBL28478382 | 0.81 | PDE6D (0.51) | PDE6DMEN1KMT2A | |
| SCHEMBL28489677 | 0.80 | PDE6D (0.56) | PDE6DMEN1KMT2AOPRK1 | |
| SCHEMBL28482112 | 0.80 | PDE6D (0.60) | PDE6DMEN1KMT2A | |
| SCHEMBL28489555 | 0.80 | PDE6D (0.55) | PDE6DMEN1KMT2AOPRK1 | |
| SCHEMBL28478269 | 0.74 | PDE6D (0.73) | PDE6DMEN1KMT2AOPRK1 | |
| SCHEMBL28481502 | 0.74 | KEAP1 (0.55) | PDE6DGHSR | |
| SCHEMBL1104386 | 0.72 | ALDH1A1 (0.59) | MEN1KMT2A |
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 |