Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 9/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 3/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.31 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.31 |
| ▸ | GFER | P55789 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL25861428 | 0.91 | ALDH1A1 (0.37) | ALDH1A1MAPTKDM4EHPGDHTT | |
| SCHEMBL25856890 | 0.88 | ALDH1A1 (0.38) | ALDH1A1MAPTKDM4EHPGDHTT | |
| SCHEMBL25859255 | 0.85 | CYP1A1 (0.33) | ALDH1A1MAPTKDM4EHTTNPSR1 | |
| SCHEMBL25856837 | 0.81 | ALDH1A1 (0.38) | ALDH1A1MAPTKDM4EHPGDHTT | |
| SCHEMBL25300203 | 0.81 | CDK7 (0.39) | — | |
| SCHEMBL25860539 | 0.81 | NLRP3 (0.49) | ALDH1A1MAPTKDM4EHTTNPSR1 | |
| SCHEMBL25255256 | 0.81 | CDK7 (0.39) | — | |
| SCHEMBL30517810 | 0.79 | NLRP3 (0.42) | ALDH1A1MAPTKDM4EHPGDHTT | |
| SCHEMBL25857924 | 0.79 | CACNA2D1 (0.32) | CACNA2D1 | |
| SCHEMBL25858838 | 0.79 | ALDH1A1 (0.45) | ALDH1A1MAPTNPSR1POLBENPP3 |
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 |