Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 15/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | BPTF | Q12830 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 11/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 11/20 | 0.41 |
| ▸ | BCHE | P06276 | 11/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21962912 | 0.81 | ACHE (0.42) | NOS3NOS1NOS2ACHEMEN1 | |
| SCHEMBL30162172 | 0.81 | ACHE (0.42) | NOS3NOS1NOS2ACHEMEN1 | |
| SCHEMBL21963078 | 0.74 | NOS3 (0.53) | NOS3NOS1NOS2ACHEMEN1 | |
| SCHEMBL31475655 | 0.74 | NOS3 (0.53) | NOS3NOS1NOS2ACHEMEN1 | |
| SCHEMBL22019952 | 0.71 | NOS3 (0.42) | NOS3NOS1NOS2ACHEMEN1 | |
| SCHEMBL24978430 | 0.70 | CYP2C19 (0.48) | NOS3NOS1NOS2ACHEMEN1 | |
| SCHEMBL22020022 | 0.70 | NOS3 (0.44) | NOS3NOS1NOS2ACHEMEN1 | |
| SCHEMBL30162572 | 0.70 | NOS3 (0.44) | NOS3NOS1NOS2ACHEMEN1 | |
| SCHEMBL22020688 | 0.70 | NOS3 (0.44) | NOS3NOS1NOS2ACHEMEN1 | |
| SCHEMBL21963403 | 0.68 | ACHE (0.53) | ACHEMAPK1GRIN1GRIN2ABCHE |
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 |