Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 19/20 | 0.54 |
| ▸ | CHRNA3 | P32297 | 19/20 | 0.54 |
| ▸ | CHRNA4 | P43681 | 19/20 | 0.54 |
| ▸ | CHRNB3 | Q05901 | 19/20 | 0.54 |
| ▸ | CHRNA6 | Q15825 | 19/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL12926722 | 0.89 | CHRNB2 (0.53) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| Trifluoroacetic Acid SCHEMBL993236 | 0.84 | CHRNB2 (0.48) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL1711527 | 0.77 | CHRNB2 (0.58) | CHRNB2CHRNA3CHRNA4 | |
| SCHEMBL1711243 | 0.77 | CHRNB2 (0.58) | CHRNB2CHRNA3CHRNA4 | |
| SCHEMBL1711255 | 0.77 | CHRNB2 (0.58) | CHRNB2CHRNA3CHRNA4 | |
| SCHEMBL5387959 | 0.75 | EPHX1 (0.35) | — | |
| SCHEMBL5387956 | 0.75 | EPHX1 (0.35) | — | |
| SCHEMBL9235459 | 0.75 | PDK1 (0.36) | — | |
| SCHEMBL20204150 | 0.74 | GAA (0.42) | — | |
| SCHEMBL1982249 | 0.74 | CHRNB2 (0.58) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4472739-A1 | IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. Hoffmann-La Roche AG (CH) | 2024-12-11 | — | — | EP | disclosed |
| WO-2023148129-A1 | IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2023-08-10 | — | — | WO | disclosed |
| WO-2023148129-A1 | IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2023-08-10 | — | — | WO | disclosed |