Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 12/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 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 | |
|---|---|---|---|---|
| SCHEMBL30010462 | 0.88 | ACHE (0.50) | HRH4HRH3ATMACHEEPHX1 | |
| SCHEMBL28667866 | 0.77 | ACHE (0.47) | ATMACHEALDH1A1HPGDTSHR | |
| SCHEMBL31113456 | 0.72 | ACHE (0.50) | HRH4HRH3ATMACHEEPHX1 | |
| SCHEMBL22121365 | 0.72 | ACHE (0.50) | HRH4HRH3ACHEEPHX1 | |
| SCHEMBL22121364 | 0.72 | ACHE (0.50) | HRH4HRH3ACHEEPHX1 | |
| SCHEMBL4921718 | 0.71 | ACHE (0.53) | ATMACHEEPHX1 | |
| SCHEMBL12393903 | 0.71 | HRH4 (0.50) | HRH4HRH3ACHE | |
| SCHEMBL40274 | 0.71 | ALDH1A1 (0.61) | ATMACHEALDH1A1HPGDTSHR | |
| SCHEMBL4148707 | 0.71 | ALDH1A1 (0.47) | ATMACHEALDH1A1HPGDTSHR | |
| SCHEMBL28063347 | 0.69 | ATM (0.47) | ATMALDH1A1HPGDTSHRHCAR2 |
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-4126855-A1 | COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION | F. Hoffmann-La Roche AG (CH) | 2023-02-08 | — | — | EP | disclosed |
| WO-2021190727-A1 | COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2021-09-30 | — | — | WO | disclosed |