Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | LDHB | P07195 | 1/20 | 0.35 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CXCR2 | P25025 | 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 | |
|---|---|---|---|---|
| SCHEMBL23857031 | 0.78 | ALDH1A1 (0.43) | KDM4EGAA | |
| SCHEMBL30047197 | 0.78 | ALDH1A1 (0.43) | KDM4EGAA | |
| SCHEMBL4499502 | 0.78 | AR (0.35) | GAA | |
| SCHEMBL3951083 | 0.78 | AR (0.35) | GAA | |
| SCHEMBL4499504 | 0.78 | AR (0.35) | GAA | |
| SCHEMBL4020417 | 0.77 | NOS3 (0.43) | NOTUMPPARDAKR1C3AKR1C1 | |
| SCHEMBL26650233 | 0.76 | CA1 (0.41) | KDM4E | |
| SCHEMBL30306223 | 0.76 | DRD2 (0.45) | NOTUMPPARDDRD2DRD3 | |
| SCHEMBL4014532 | 0.76 | DRD2 (0.45) | NOTUMPPARDDRD2DRD3 | |
| SCHEMBL3301244 | 0.76 | CYP1A2 (0.43) | PPARDS1PR5AKR1C3AKR1C1GAA |
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-4405352-A1 | NEW COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION | F. Hoffmann-La Roche AG (CH) | 2024-07-31 | — | — | EP | disclosed |
| WO-2023041756-A1 | NEW COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2023-03-23 | — | — | WO | disclosed |