Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 10/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.34 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.32 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.32 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.32 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | PIP5K1C | O60331 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PI4KA | P42356 | 1/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.32 |
| ▸ | PI4KB | Q9UBF8 | 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 | |
|---|---|---|---|---|
| SCHEMBL18029805 | 0.85 | ACHE (0.42) | ACHENLRP3NAMPTCYP2C9CYP2C19 | |
| SCHEMBL22019927 | 0.82 | ACHE (0.40) | ACHENLRP3NAMPTCYP2C9CYP2C19 | |
| SCHEMBL18007714 | 0.78 | NLRP3 (0.44) | ACHENLRP3NAMPTCYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL28184544 | 0.76 | ACHE (0.45) | ACHENLRP3NAMPTCYP2C9CYP2C19 | |
| SCHEMBL15690483 | 0.73 | CYP2C9 (0.50) | NAMPTCYP2C9CYP2C19CYP3A4 | |
| SCHEMBL21963145 | 0.72 | ACHE (0.35) | ACHENLRP3NAMPTCYP2C9CYP2C19 | |
| SCHEMBL173773 | 0.70 | NAMPT (0.52) | NAMPTCYP2C9CYP2C19PRMT5WDR77 | |
| SCHEMBL24979080 | 0.70 | NLRP3 (0.44) | ACHENLRP3NAMPTCYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL16107549 | 0.69 | NAMPT (0.51) | NAMPTCYP2C9CYP2C19PRMT5WDR77 | |
| Hydrochloric Acid SCHEMBL29505562 | 0.69 | ACHE (0.41) | ACHENAMPTAURKALIMK1AURKB |
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-2020102096-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS INFLAMMASOME RESEARCH, INC. (US) | 2020-05-22 | — | — | WO | disclosed |