Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.56 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.55 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | GHSR | Q92847 | 5/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL29097854 | 1.00 | ESR2 (0.56) | ESR2NR1H2SRD5A1MAPK1MAOA | |
| SCHEMBL17894538 | 0.92 | ESR2 (0.54) | ESR2NR1H2MAPK1HRH3GHSR | |
| SCHEMBL30199330 | 0.91 | ESR2 (0.53) | ESR2NR1H2MAPK1HRH3GHSR | |
| SCHEMBL29097900 | 0.91 | ESR2 (0.53) | ESR2NR1H2MAPK1HRH3GHSR | |
| SCHEMBL30199418 | 0.91 | ESR2 (0.53) | ESR2NR1H2MAPK1HRH3GHSR | |
| SCHEMBL30199064 | 0.88 | NR1H2 (0.55) | ESR2NR1H2MAPK1MAOBHRH3 | |
| SCHEMBL30199590 | 0.85 | NR1H2 (0.60) | ESR2NR1H2MAPK1HRH3GHSR | |
| SCHEMBL29098015 | 0.85 | NR4A2 (0.50) | SRD5A1MAOAMAOBNR4A2HRH3 | |
| SCHEMBL14541717 | 0.85 | ESR2 (0.64) | ESR2NR1H2MAPK1GHSR | |
| SCHEMBL29097892 | 0.84 | ESR2 (0.56) | ESR2NR1H2MAPK1MAOBHRH3 |
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 |