Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 4/20 | 0.40 |
| ▸ | WDR5 | P61964 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2300 | 0.86 | OPRM1 (0.46) | OPRM1WDR5MEN1NPC1ALDH1A1 | |
| Water SCHEMBL3901727 | 0.82 | OPRM1 (0.43) | OPRM1WDR5MEN1NPC1ALDH1A1 | |
| SCHEMBL1141221 | 0.82 | WDR5 (0.47) | OPRM1WDR5MEN1NPC1ALDH1A1 | |
| SCHEMBL238163 | 0.82 | WDR5 (0.47) | OPRM1WDR5MEN1NPC1ALDH1A1 | |
| SCHEMBL6209121 | 0.81 | WDR5 (0.48) | OPRM1WDR5MEN1NPC1ALDH1A1 | |
| SCHEMBL24214281 | 0.78 | OPRM1 (0.40) | OPRM1WDR5 | |
| SCHEMBL3237390 | 0.78 | OPRM1 (0.40) | OPRM1WDR5MEN1NPC1ALDH1A1 | |
| SCHEMBL16764346 | 0.78 | OPRM1 (0.40) | OPRM1WDR5 | |
| SCHEMBL2288499 | 0.76 | PDE4A (0.45) | OPRM1WDR5MEN1NPC1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28122502 | 0.76 | OPRM1 (0.42) | OPRM1WDR5 |
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-117120429-A | KHK inhibitor | 吉利德科学公司 | 2023-11-24 | — | — | CN | disclosed |