Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 6/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.37 |
| ▸ | SLC2A2 | P11168 | 2/20 | 0.37 |
| ▸ | SLC2A3 | P11169 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL839701 | 0.86 | CYP17A1 (0.53) | CYP17A1CYP1A2RAB9ATP53LMNA | |
| SCHEMBL30568414 | 0.86 | CYP17A1 (0.53) | CYP17A1CYP1A2RAB9ATP53LMNA | |
| SCHEMBL12414250 | 0.84 | RAB9A (0.53) | CYP17A1CYP1A2RAB9ATP53LMNA | |
| SCHEMBL25342676 | 0.84 | CYP17A1 (0.41) | CYP17A1CYP1A2RAB9ATP53LMNA | |
| SCHEMBL30568436 | 0.82 | CYP17A1 (0.42) | CYP17A1CYP1A2RAB9ATP53LMNA | |
| SCHEMBL25343909 | 0.82 | CYP17A1 (0.42) | CYP17A1CYP1A2RAB9ATP53LMNA | |
| SCHEMBL25345923 | 0.81 | SLC2A1 (0.41) | CYP17A1CYP1A2RAB9ATP53LMNA | |
| SCHEMBL12000946 | 0.81 | SLC2A1 (0.53) | CYP1A2RAB9ATP53LMNASLC2A1 | |
| SCHEMBL25341748 | 0.79 | GSK3B (0.40) | CYP17A1CYP1A2RAB9ATP53LMNA | |
| SCHEMBL1243507 | 0.79 | GPR119 (0.53) | CYP17A1CYP1A2RAB9ATP53LMNA |
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 |