Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.40 |
| ▸ | HPGD | P15428 | 5/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CRHR1 | P34998 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28934436 | 0.90 | ACHE (0.41) | MAPTHPGDL3MBTL1NPC1RAB9A | |
| SCHEMBL28934710 | 0.90 | ACHE (0.41) | MAPTHPGDL3MBTL1NPC1RAB9A | |
| SCHEMBL28934542 | 0.87 | MAPT (0.39) | MAPTHPGDL3MBTL1NPC1RAB9A | |
| SCHEMBL28934496 | 0.86 | PDE5A (0.46) | MAPTHPGDL3MBTL1ACHEALDH1A1 | |
| SCHEMBL30108829 | 0.84 | THRB (0.38) | MAPTHPGDNPC1RAB9AGAA | |
| SCHEMBL28934326 | 0.84 | ACHE (0.36) | MAPTHPGDL3MBTL1RAB9ALMNA | |
| SCHEMBL30108916 | 0.84 | MAOA (0.37) | MAPTHPGDL3MBTL1ACHEALDH1A1 | |
| SCHEMBL28934449 | 0.84 | KDM4E (0.40) | MAPTHPGDL3MBTL1NPC1RAB9A | |
| SCHEMBL28934452 | 0.84 | MAPT (0.39) | MAPTHPGDL3MBTL1NPC1RAB9A | |
| SCHEMBL26136379 | 0.84 | MAOA (0.37) | MAPTHPGDL3MBTL1ACHEALDH1A1 |
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-115433163-A | NLRP3 inflammasome inhibitor and application thereof | 药捷安康(南京)科技股份有限公司 | 2022-12-06 | — | — | CN | disclosed |