Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 3/20 | 0.39 |
| ▸ | CNR1 | P21554 | 2/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | BRD2 | P25440 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | FPR2 | P25090 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | PROKR1 | Q8TCW9 | 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 | |
|---|---|---|---|---|
| SCHEMBL694119 | 0.90 | CNR2 (0.38) | CNR2CNR1CYP2C8CYP2D6CYP2C19 | |
| SCHEMBL696423 | 0.88 | MCHR1 (0.42) | MCHR1CNR2CNR1CYP2C8CYP2D6 | |
| SCHEMBL694698 | 0.84 | TSHR (0.42) | MCHR1CNR2CNR1CYP2C8CYP2D6 | |
| SCHEMBL695190 | 0.82 | HCRTR1 (0.39) | MCHR1CNR2CNR1CYP2C8CYP2D6 | |
| SCHEMBL696236 | 0.81 | ADORA2A (0.35) | MCHR1CNR2ADORA2AADORA1FPR2 | |
| SCHEMBL697408 | 0.80 | CNR2 (0.39) | MCHR1CNR2CNR1CYP2C8CYP2D6 | |
| SCHEMBL695240 | 0.78 | CNR2 (0.41) | CNR2CNR1CYP2C8CYP2D6CYP2C19 | |
| SCHEMBL696519 | 0.76 | FKBP1A (0.40) | ALDH1A1MAPT | |
| SCHEMBL695507 | 0.75 | KMT2A (0.41) | CNR2CNR1CYP2C8CYP2D6CYP2C19 | |
| SCHEMBL696031 | 0.72 | HCRTR1 (0.39) | CNR2CNR1CYP2C8CYP2D6CYP2C19 |
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-2421826-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010121918-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-28 | — | — | WO | disclosed |