Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 3/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | FLT1 | P17948 | 2/20 | 0.34 |
| ▸ | FLT4 | P35916 | 2/20 | 0.34 |
| ▸ | KDR | P35968 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | CTSL | P07711 | 2/20 | 0.33 |
| ▸ | CTSB | P07858 | 2/20 | 0.33 |
| ▸ | CTSK | P43235 | 2/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ITGA1 | P56199 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL2105653 | 0.87 | GRIK1 (0.41) | AKR1B1ITGA1GRIK1GRIA2 | |
| SCHEMBL2106278 | 0.78 | GRIK1 (0.39) | CTSSCTSLCTSBCTSKGAA | |
| SCHEMBL695486 | 0.75 | CTSS (0.63) | CTSSCTSLCTSBCTSK | |
| SCHEMBL15170415 | 0.75 | MEN1 (0.38) | CTSSHSD11B1HTTCTSLMEN1 | |
| SCHEMBL696063 | 0.75 | AKR1B1 (0.40) | CTSSHSD11B1AKR1B1CTSLGRIK1 | |
| SCHEMBL15173261 | 0.75 | GRIK1 (0.42) | CTSSFLT1FLT4KDRCTSL | |
| Hydrochloric Acid SCHEMBL695249 | 0.74 | CTSS (0.62) | CTSSCTSLCTSBCTSK | |
| SCHEMBL3716343 | 0.73 | CYP1A2 (0.39) | HSD11B1GRIK1GRIA2 | |
| SCHEMBL695605 | 0.73 | CTSS (0.37) | CTSSHSD11B1AKR1B1CTSLCTSB | |
| SCHEMBL3064422 | 0.71 | CTSS (0.47) | CTSSCTSLCTSBCTSKGRIK1 |
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-2421826-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-02-29 | — | — | EP | claimed |