Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 2/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.38 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.38 |
| ▸ | ACE | P12821 | 1/20 | 0.38 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | REN | P00797 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL19924563 | 0.86 | ITGA4 (0.44) | AKT1ATMCTSSCTSLCTSB | |
| SCHEMBL19924566 | 0.86 | ITGA4 (0.44) | AKT1ATMCTSSCTSLCTSB | |
| SCHEMBL31081416 | 0.78 | ATM (0.42) | ATMCTSSCTSLCTSBCTSK | |
| SCHEMBL31081104 | 0.78 | ATM (0.42) | ATMCTSSCTSLCTSBCTSK | |
| SCHEMBL23000946 | 0.78 | ADAMTS5 (0.50) | ALDH1A1MAPTADAMTS5HPGDSLC7A5 | |
| SCHEMBL23000947 | 0.78 | ADAMTS5 (0.50) | ALDH1A1MAPTADAMTS5HPGDSLC7A5 | |
| SCHEMBL992429 | 0.75 | REN (0.43) | AKT1ATMCTSSCTSLCTSB | |
| SCHEMBL2476924 | 0.75 | MMP13 (0.46) | ATMCTSSCTSLCTSBCTSK | |
| SCHEMBL1401042 | 0.75 | MMP13 (0.46) | ATMCTSSCTSLCTSBCTSK | |
| SCHEMBL19945772 | 0.75 | MMP8 (0.50) | ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3865482-A1 | 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION | F. Hoffmann-La Roche AG (CH) | 2021-08-18 | — | — | EP | disclosed |