Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 15/20 | 0.74 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.74 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL367860 | 0.85 | CYP17A1 (1.00) | CYP17A1CYP1A2 | |
| SCHEMBL359298 | 0.83 | CYP17A1 (0.60) | CYP17A1CYP1A2SCN9A | |
| SCHEMBL25342346 | 0.83 | CYP17A1 (0.60) | CYP17A1CYP1A2RAB9AHTTSMN1; SMN2 | |
| SCHEMBL368199 | 0.83 | CYP17A1 (0.60) | CYP17A1CYP1A2RAB9AHTTSMN1; SMN2 | |
| SCHEMBL368586 | 0.80 | CYP17A1 (0.78) | CYP17A1CYP1A2 | |
| SCHEMBL15113035 | 0.78 | CYP17A1 (0.56) | CYP17A1CYP1A2RAB9AHTTSMN1; SMN2 | |
| SCHEMBL25977715 | 0.78 | CYP17A1 (0.51) | CYP17A1CYP1A2RAB9ASMN1; SMN2SCN9A | |
| SCHEMBL25344584 | 0.76 | CYP17A1 (0.49) | CYP17A1CYP1A2RAB9ASMN1; SMN2SCN9A | |
| SCHEMBL5009869 | 0.76 | CYP17A1 (0.51) | CYP17A1CYP1A2RAB9ASMN1; SMN2SCN9A | |
| SCHEMBL30568732 | 0.76 | CYP17A1 (0.49) | CYP17A1CYP1A2RAB9ASMN1; SMN2SCN9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023148129-A1 | IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2023-08-10 | — | — | WO | disclosed |