Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 10/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.32 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.31 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | PRKACA | P17612 | 1/20 | 0.30 |
| ▸ | PRKACG | P22612 | 1/20 | 0.30 |
| ▸ | PRKACB | P22694 | 1/20 | 0.30 |
| ▸ | AKT1 | P31749 | 1/20 | 0.30 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.30 |
| ▸ | TBK1 | Q9UHD2 | 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 | |
|---|---|---|---|---|
| SCHEMBL29691511 | 1.00 | AAK1 (0.38) | AAK1MTNR1AMTNR1BDHODHTLR9 | |
| SCHEMBL23013017 | 1.00 | AAK1 (0.38) | AAK1MTNR1AMTNR1BDHODHTLR9 | |
| SCHEMBL29691333 | 0.90 | AAK1 (0.37) | AAK1MTNR1AMTNR1BDHODHTLR9 | |
| SCHEMBL23012491 | 0.90 | AAK1 (0.37) | AAK1MTNR1AMTNR1BDHODHTLR9 | |
| SCHEMBL29757342 | 0.90 | AAK1 (0.37) | AAK1MTNR1AMTNR1BDHODHTLR9 | |
| SCHEMBL23012881 | 0.89 | AAK1 (0.40) | AAK1MTNR1AMTNR1BDHODHTLR9 | |
| SCHEMBL29691328 | 0.89 | AAK1 (0.40) | AAK1MTNR1AMTNR1BDHODHTLR9 | |
| SCHEMBL29757356 | 0.89 | AAK1 (0.40) | AAK1MTNR1AMTNR1BDHODHTLR9 | |
| SCHEMBL23012442 | 0.85 | AAK1 (0.41) | AAK1DHODH | |
| SCHEMBL23012397 | 0.85 | AAK1 (0.39) | AAK1MTNR1AMTNR1BDHODH |
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-4013762-A1 | MACROCYCLIC SULFONYLAMIDE DERIVATIVES USEFUL AS NLRP3 INHIBITORS | Inflazome Limited (IE) | 2022-06-22 | — | — | EP | disclosed |