Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EHMT2 | Q96KQ7 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 5/20 | 0.32 |
| ▸ | BCHE | P06276 | 2/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | EDNRB | P24530 | 1/20 | 0.31 |
| ▸ | EDNRA | P25101 | 1/20 | 0.31 |
| ▸ | NLRP3 | Q96P20 | 4/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL25803289 | 0.77 | KDM4E (0.37) | NPC1NLRP3NOS3NOS1NOS2 | |
| SCHEMBL24842414 | 0.76 | ACHE (0.36) | NPC1ACHEBCHEGRIN1GRIN2A | |
| SCHEMBL25803299 | 0.74 | NOS3 (0.36) | NPC1MEN1KMT2ANOS3NOS1 | |
| SCHEMBL3078874 | 0.74 | ACHE (0.36) | NPC1ACHEBCHEGRIN1GRIN2A | |
| SCHEMBL31128500 | 0.73 | NLRP3 (0.36) | ACHEBCHEGRIN1GRIN2AHTR2C | |
| SCHEMBL10267442 | 0.73 | HTR2B (0.42) | HTR2CNLRP3MEN1KMT2ANOS3 | |
| SCHEMBL801644 | 0.73 | HTR2B (0.45) | EHMT2NLRP3NOS3NOS1NOS2 | |
| SCHEMBL25433645 | 0.72 | ACHE (0.39) | ACHEBCHEGRIN1GRIN2AHTR2C | |
| SCHEMBL30496070 | 0.72 | ACHE (0.39) | ACHEBCHEGRIN1GRIN2AHTR2C | |
| SCHEMBL31128504 | 0.71 | MEN1 (0.37) | ACHEBCHEHTR2CNLRP3CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4093509-A1 | SULFONIMIDAMIDE COMPOUNDS AS NLRP3 MODULATORS | F. Hoffmann-La Roche AG (CH) | 2022-11-30 | — | — | EP | disclosed |