Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.55 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.55 |
| ▸ | MMP1 | P03956 | 2/20 | 0.45 |
| ▸ | MMP3 | P08254 | 2/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | TLR2 | O60603 | 2/20 | 0.44 |
| ▸ | GNPAT | O15228 | 2/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CPA1 | P15085 | 1/20 | 0.39 |
| ▸ | CPA2 | P48052 | 1/20 | 0.39 |
| ▸ | CPA4 | Q9UI42 | 1/20 | 0.39 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.37 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.37 |
| ▸ | PAOX | Q6QHF9 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2789981 | 0.95 | SIRT6 (0.61) | SIRT6SIRT1MMP1MMP3MMP9 | |
| SCHEMBL13331678 | 0.95 | SIRT6 (0.61) | SIRT6SIRT1MMP1MMP3MMP9 | |
| SCHEMBL12365274 | 0.91 | SIRT6 (0.58) | SIRT6SIRT1MMP1MMP3MMP9 | |
| SCHEMBL17623529 | 0.89 | SIRT6 (0.46) | SIRT6SIRT1MMP1MMP3MMP9 | |
| SCHEMBL13367162 | 0.89 | SIRT6 (0.46) | SIRT6SIRT1MMP1MMP3MMP9 | |
| SCHEMBL20705144 | 0.85 | MMP1 (0.45) | SIRT6SIRT1MMP1MMP3MMP9 | |
| SCHEMBL22493159 | 0.84 | BMP1 (0.47) | SIRT6SIRT1CA1CA2TLR2 | |
| SCHEMBL19546728 | 0.83 | SIRT6 (0.53) | SIRT6SIRT1MMP1MMP3MMP9 | |
| SCHEMBL25556371 | 0.82 | MMP1 (0.40) | SIRT6SIRT1MMP1MMP3MMP9 | |
| SCHEMBL23562939 | 0.81 | SIRT6 (0.59) | SIRT6SIRT1MMP1MMP3MMP9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7592368-B2 | Sulphonamide derivatives as prodrugs of aspartyl protease inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-09-22 | — | — | US | disclosed |
| US-7592368-B2 | Sulphonamide derivatives as prodrugs of aspartyl protease inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-09-22 | — | — | US | disclosed |
| EP-0933372-B1 | Sulphonamide derivatives as prodrugs of aspartyl protease inhibitors | VERTEX PHARMA (US) | 2007-12-26 | — | — | EP | disclosed |