Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL25977715 | 0.86 | CYP17A1 (0.51) | CYP17A1CYP1A2GLAMAPK14SCN9A | |
| SCHEMBL25345230 | 0.85 | SLC2A1 (0.43) | CYP17A1CYP1A2SMN1; SMN2TSHRPOLB | |
| SCHEMBL30568679 | 0.85 | SLC2A1 (0.43) | CYP17A1CYP1A2SMN1; SMN2TSHRPOLB | |
| SCHEMBL25344584 | 0.84 | CYP17A1 (0.49) | CYP17A1CYP1A2GLAMAPK14SCN9A | |
| SCHEMBL5009869 | 0.84 | CYP17A1 (0.51) | CYP17A1CYP1A2GLAMAPK14SCN9A | |
| SCHEMBL30568732 | 0.84 | CYP17A1 (0.49) | CYP17A1CYP1A2GLAMAPK14SCN9A | |
| SCHEMBL25343453 | 0.82 | CYP17A1 (0.42) | CYP17A1CYP1A2GLAMAPK14SCN9A | |
| SCHEMBL30568412 | 0.82 | CYP17A1 (0.42) | CYP17A1CYP1A2GLAMAPK14SCN9A | |
| SCHEMBL25344027 | 0.82 | CYP17A1 (0.43) | CYP17A1CYP1A2GLAMAPK14SMN1; SMN2 | |
| SCHEMBL30568695 | 0.82 | CYP17A1 (0.43) | CYP17A1CYP1A2GLAMAPK14SMN1; SMN2 |
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 2 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 |