Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 5/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.35 |
| ▸ | KLK7 | P49862 | 1/20 | 0.35 |
| ▸ | KLK14 | Q9P0G3 | 1/20 | 0.35 |
| ▸ | ENPP3 | O14638 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | PRNP | P04156 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL25856769 | 0.86 | ALDH1A1 (0.46) | ALDH1A1GAANPSR1MAPTNLRP3 | |
| SCHEMBL25858206 | 0.84 | KDM4E (0.34) | ALDH1A1CYP1A1CYP1A2CYP1B1MAPT | |
| SCHEMBL25304800 | 0.82 | NLRP3 (0.56) | ALDH1A1CYP1A1CYP1A2CYP1B1GAA | |
| SCHEMBL25855653 | 0.82 | NLRP3 (0.56) | ALDH1A1CYP1A1CYP1A2CYP1B1GAA | |
| SCHEMBL25856433 | 0.82 | KDM4E (0.41) | CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL25858870 | 0.79 | ALDH1A1 (0.38) | ALDH1A1CYP1A1CYP1A2CYP1B1GAA | |
| SCHEMBL29275850 | 0.76 | NLRP3 (0.61) | NLRP3 | |
| SCHEMBL25857052 | 0.75 | ALDH1A1 (0.46) | ALDH1A1GAANPSR1MAPTKLK7 | |
| SCHEMBL25857850 | 0.74 | NLRP3 (0.42) | NLRP3 | |
| SCHEMBL29030524 | 0.73 | NLRP3 (0.49) | NLRP3 |
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-2023131277-A1 | NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF | 药捷安康(南京)科技股份有限公司 | 2023-07-13 | — | — | WO | disclosed |