Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.43 |
| ▸ | GRIA1 | P42261 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | PPARA | Q07869 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | PARG | Q86W56 | 1/20 | 0.32 |
| ▸ | GBA1 | P04062 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5725096 | 0.98 | GRIA1 (0.43) | NLRP3GRIA1POLBALDH1A1TSHR | |
| SCHEMBL48540 | 0.84 | — | — | |
| SCHEMBL12090531 | 0.81 | POLB (0.52) | GRIA1POLBALDH1A1CA1CA2 | |
| SCHEMBL3096279 | 0.78 | POLB (0.40) | GRIA1POLBALDH1A1CA1CA2 | |
| SCHEMBL14739265 | 0.78 | GRIA1 (0.52) | GRIA1POLBALDH1A1CA1CA2 | |
| SCHEMBL14739816 | 0.78 | GRIA1 (0.52) | GRIA1POLBALDH1A1CA1CA2 | |
| SCHEMBL14740061 | 0.78 | GRIA1 (0.52) | GRIA1POLBALDH1A1CA1CA2 | |
| SCHEMBL14739086 | 0.78 | GRIA1 (0.52) | GRIA1POLBALDH1A1CA1CA2 | |
| SCHEMBL14739515 | 0.78 | GRIA1 (0.52) | GRIA1POLBALDH1A1CA1CA2 | |
| SCHEMBL14740296 | 0.78 | GRIA1 (0.52) | GRIA1POLBALDH1A1CA1CA2 |
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-1212302-A1 | COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-06-12 | — | — | EP | disclosed |
| WO-2001019796-A1 | COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-03-22 | — | — | WO | disclosed |