Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 2/20 | 0.31 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.31 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.30 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.30 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.30 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.30 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.30 |
| ▸ | PRKDC | P78527 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3580981 | 0.84 | ESR2 (0.45) | ESR2ERN1 | |
| SCHEMBL13602803 | 0.81 | ESR2 (0.43) | ESR2 | |
| SCHEMBL13453553 | 0.77 | ESR2 (0.43) | ESR2 | |
| SCHEMBL20456820 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL29953377 | 0.76 | QDPR (0.46) | ESR2 | |
| SCHEMBL14302792 | 0.73 | ESR2 (0.38) | ESR2 | |
| Hydrochloric Acid SCHEMBL29953932 | 0.73 | HTR3A (0.45) | — | |
| SCHEMBL17282347 | 0.73 | SLC6A3 (0.43) | — | |
| SCHEMBL27214497 | 0.73 | ALDH1A1 (0.43) | CACNA1H | |
| SCHEMBL23801959 | 0.72 | ALDH1A1 (0.44) | ESR2ERN1PRKDC |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117986264-A | Benzo nitrogen-containing polycyclic derivative regulator and preparation method and application thereof | 江苏豪森药业集团有限公司 | 2024-05-07 | — | — | CN | disclosed |