Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 3/20 | 0.41 |
| ▸ | MMP9 | P14780 | 2/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | BMP1 | P13497 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 3/20 | 0.36 |
| ▸ | MMP13 | P45452 | 2/20 | 0.36 |
| ▸ | MMP3 | P08254 | 2/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | LIMK2 | P53671 | 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 | |
|---|---|---|---|---|
| SCHEMBL5771248 | 0.96 | MMP9 (0.40) | MMP2MMP9KEAP1ALDH1A1POLB | |
| SCHEMBL5771495 | 0.91 | OPRK1 (0.39) | MMP2MMP9KEAP1ALDH1A1POLB | |
| SCHEMBL6199527 | 0.86 | MMP2 (0.48) | MMP2MMP9KEAP1ALDH1A1POLB | |
| SCHEMBL5771964 | 0.82 | MMP1 (0.38) | MMP2MMP9MMP1MMP13MMP3 | |
| SCHEMBL5770234 | 0.81 | MLNR (0.44) | — | |
| SCHEMBL5770232 | 0.81 | MLNR (0.44) | — | |
| SCHEMBL1601963 | 0.80 | MMP2 (0.48) | MMP2MMP9KEAP1ALDH1A1POLB | |
| SCHEMBL6617050 | 0.79 | MMP2 (0.43) | MMP2MMP9HTTMMP1MMP13 | |
| SCHEMBL5771242 | 0.79 | MMP1 (0.38) | MMP2MMP9MMP1MMP13MMP3 | |
| SCHEMBL1600758 | 0.78 | ABCB1 (0.54) | — |
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-1637518-A2 | Inhibitors of aspartyl protease | Vertex Pharmaceuticals Incorporated (US) | 2006-03-22 | — | — | EP | disclosed |