Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 8/20 | 0.49 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 5/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25343352 | 0.83 | MAPK14 (0.49) | MAPK14CYP17A1CYP1A2SCN9ANPC1 | |
| SCHEMBL12670788 | 0.80 | MAPK14 (0.45) | MAPK14CYP17A1CYP1A2L3MBTL1 | |
| SCHEMBL25344046 | 0.78 | CYP17A1 (0.46) | MAPK14CYP17A1CYP1A2SCN9ANPC1 | |
| SCHEMBL30568414 | 0.72 | CYP17A1 (0.53) | MAPK14CYP17A1CYP1A2NPC1RAB9A | |
| SCHEMBL839701 | 0.72 | CYP17A1 (0.53) | MAPK14CYP17A1CYP1A2NPC1RAB9A | |
| SCHEMBL25343725 | 0.72 | CYP17A1 (0.46) | MAPK14CYP17A1CYP1A2NPC1RAB9A | |
| SCHEMBL25342657 | 0.72 | CYP17A1 (0.46) | MAPK14CYP17A1CYP1A2SCN9ANPC1 | |
| SCHEMBL305521 | 0.70 | SCN9A (0.48) | MAPK14CYP17A1CYP1A2SCN9A | |
| SCHEMBL25342945 | 0.70 | SCN9A (0.45) | CYP17A1CYP1A2SCN9A | |
| SCHEMBL25344723 | 0.70 | CYP17A1 (0.44) | MAPK14CYP17A1CYP1A2SCN9ANPC1 |
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 |