Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.55 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.55 |
| ▸ | PDE6D | O43924 | 5/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | GHSR | Q92847 | 4/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.44 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
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 | 0.76 | PDE6D (0.60) | PDE6DALDH1A1MAPTGHSR | |
| SCHEMBL28478381 | 0.74 | PDE6D (0.70) | PDE6DGHSR | |
| SCHEMBL28489677 | 0.74 | PDE6D (0.56) | PDE6DALDH1A1MAPT | |
| SCHEMBL28482112 | 0.73 | PDE6D (0.60) | PDE6DALDH1A1MAPT | |
| SCHEMBL28478420 | 0.70 | PDE6D (0.72) | PDE6DALDH1A1GHSR | |
| SCHEMBL28489555 | 0.70 | PDE6D (0.55) | PDE6DALDH1A1MAPT | |
| SCHEMBL14195583 | 0.70 | KDM4E (0.52) | PDE6DALDH1A1MAPT | |
| SCHEMBL1104386 | 0.67 | ALDH1A1 (0.59) | ALDH1A1MAPT | |
| SCHEMBL28413113 | 0.67 | NAMPT (0.64) | KEAP1NFE2L2ALDH1A1PKM | |
| SCHEMBL10432175 | 0.67 | LMNA (0.55) | PDE6DALDH1A1MAPTCYP11B1CYP11B2 |
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 |