Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GHSR | Q92847 | 7/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14368352 | 0.80 | NAMPT (0.43) | ALDH1A1HTR6 | |
| SCHEMBL17805419 | 0.79 | ALDH1A1 (0.50) | ALDH1A1MAPTALOX15CNR1TSHR | |
| SCHEMBL22484602 | 0.78 | ALDH1A1 (0.49) | ALDH1A1MAPTALOX15CNR1TSHR | |
| SCHEMBL28994726 | 0.76 | ALDH1A1 (0.44) | ALDH1A1KDM4EHTR7 | |
| SCHEMBL30286268 | 0.76 | ALDH1A1 (0.44) | ALDH1A1KDM4EHTR7 | |
| SCHEMBL5539277 | 0.75 | KMO (0.51) | ALDH1A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL5543197 | 0.75 | ADRA2C (0.54) | ALDH1A1HTR6HTR7 | |
| SCHEMBL5749961 | 0.75 | HTR7 (0.57) | ALDH1A1MAPTHTR6HTR7 | |
| SCHEMBL28659852 | 0.75 | CNR1 (0.42) | ALDH1A1MAPTALOX15CNR1TSHR | |
| Hydrochloric Acid SCHEMBL6408690 | 0.74 | HTR6 (0.56) | ALDH1A1MAPTHTR6HTR7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023030319-A1 | OPIOID RECEPTOR AGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 天地恒一制药股份有限公司 | 2023-03-09 | — | — | WO | disclosed |