Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 8/20 | 0.37 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 3/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL22020059 | 0.75 | — | — | |
| SCHEMBL22020804 | 0.68 | NLRP3 (0.33) | NLRP3CYP2C9 | |
| SCHEMBL21962232 | 0.67 | KIT (0.34) | — | |
| SCHEMBL18029805 | 0.66 | ACHE (0.42) | ACHENLRP3NAMPTCYP2C9CYP2C19 | |
| SCHEMBL22021175 | 0.66 | KIT (0.39) | ACHE | |
| SCHEMBL22021254 | 0.66 | NLRP3 (0.31) | NLRP3 | |
| SCHEMBL21963145 | 0.65 | ACHE (0.35) | ACHENLRP3NAMPTCYP2C9CYP2C19 | |
| SCHEMBL22019928 | 0.64 | ACHE (0.40) | ACHENLRP3NAMPTCYP2C9CYP2C19 | |
| SCHEMBL22020380 | 0.64 | NLRP3 (0.40) | NLRP3CYP2C9 | |
| SCHEMBL26775818 | 0.63 | — | — |
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 |