Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MKNK1 | Q9BUB5 | 4/20 | 0.55 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.54 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.53 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.48 |
| ▸ | IGF1R | P08069 | 1/20 | 0.47 |
| ▸ | JAK2 | O60674 | 3/20 | 0.46 |
| ▸ | JAK3 | P52333 | 3/20 | 0.46 |
| ▸ | PTK2 | Q05397 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.41 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.41 |
| ▸ | TRPC3 | Q13507 | 1/20 | 0.41 |
| ▸ | TRPC6 | Q9Y210 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29098010 | 1.00 | MKNK1 (0.55) | MKNK1NR1H2USP30ESR2MAPK14 | |
| SCHEMBL29097884 | 0.84 | TAS1R3 (0.46) | ESR2MAPK14NPC1RAB9ATAS1R3 | |
| SCHEMBL30198973 | 0.84 | NR1H2 (0.52) | MKNK1NR1H2USP30ESR2IGF1R | |
| SCHEMBL29098008 | 0.84 | NR1H2 (0.52) | MKNK1NR1H2USP30ESR2IGF1R | |
| SCHEMBL14771987 | 0.83 | ESR2 (0.59) | MKNK1NR1H2ESR2IGF1RJAK2 | |
| SCHEMBL29388008 | 0.83 | NR1H2 (0.72) | MKNK1NR1H2ESR2IGF1RNPC1 | |
| SCHEMBL655235 | 0.79 | NR1H2 (0.53) | MKNK1NR1H2ESR2IGF1RJAK2 | |
| SCHEMBL21326142 | 0.79 | NR1H2 (0.69) | NR1H2ESR2IGF1RJAK2JAK3 | |
| SCHEMBL29586676 | 0.79 | NR1H2 (0.69) | NR1H2ESR2IGF1RJAK2JAK3 | |
| SCHEMBL30474270 | 0.78 | NR1H2 (0.54) | MKNK1NR1H2USP30ESR2IGF1R |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115594669-B | Parallel ring derivative and preparation method and medical application thereof | 深圳信立泰药业股份有限公司 | 2024-11-05 | — | — | CN | disclosed |
| CN-115594669-A | Fused ring derivative and preparation method and medical application thereof | 深圳信立泰药业股份有限公司（CN） | 2023-01-13 | — | — | CN | disclosed |