Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.35 |
| ▸ | NQO2 | P16083 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8078442 | 0.84 | ALDH1A1 (0.47) | MAPTALDH1A1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL8864683 | 0.81 | CA2 (0.48) | ALDH1A1CYP1A1CYP1A2CYP1B1POLB | |
| SCHEMBL364484 | 0.80 | AR (0.51) | MAPTALDH1A1POLBL3MBTL1 | |
| SCHEMBL30376409 | 0.80 | AR (0.51) | MAPTALDH1A1POLBL3MBTL1 | |
| SCHEMBL25257271 | 0.78 | MEN1 (0.33) | ALDH1A1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL8866413 | 0.78 | AR (0.44) | CYP1A1CYP1A2CYP1B1APP | |
| SCHEMBL29084199 | 0.76 | MAOB (0.55) | ALDH1A1TAAR1MAOB | |
| SCHEMBL8863260 | 0.76 | LMNA (0.40) | ALDH1A1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL8865914 | 0.76 | ACACB (0.46) | MAPTALDH1A1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL30834045 | 0.76 | CYP1A1 (0.35) | CYP1A1CYP1A2CYP1B1APP |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025036275-A1 | NLRP3 INFLAMMASOME INHIBITOR AND USE THEREOF | 药捷安康(南京)科技股份有限公司 | 2025-02-20 | — | — | WO | disclosed |
| CN-119462517-A | NLRP3 inflammation corpuscle inhibitor and application thereof | 药捷安康(南京)科技股份有限公司 | 2025-02-18 | — | — | CN | disclosed |
| CN-117986258-A | NLRP3 inflammation corpuscle inhibitor and application thereof | 药捷安康(南京)科技股份有限公司 | 2024-05-07 | — | — | CN | disclosed |