Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | FPR1 | P21462 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.36 |
| ▸ | ULK1 | O75385 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.35 |
| ▸ | FPR2 | P25090 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.35 |
| ▸ | UBE2M | P61081 | 2/20 | 0.34 |
| ▸ | DCUN1D1 | Q96GG9 | 2/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL696806 | 0.91 | HSD11B1 (0.43) | CNR2CYP2C8CYP2D6CNR1CYP2C19 | |
| SCHEMBL696379 | 0.86 | EPHX2 (0.38) | MCHR1EPHX2HSD11B1ULK1SCN9A | |
| SCHEMBL695190 | 0.84 | HCRTR1 (0.39) | CNR2CYP2C8CYP2D6CNR1CYP2C19 | |
| SCHEMBL696423 | 0.84 | MCHR1 (0.42) | CNR2CYP2C8CYP2D6CNR1CYP2C19 | |
| SCHEMBL694698 | 0.84 | TSHR (0.42) | CNR2CYP2C8CYP2D6CNR1CYP2C19 | |
| SCHEMBL697628 | 0.83 | CTSL (0.38) | CNR2EPHX2FPR1HSD11B1ULK1 | |
| SCHEMBL694464 | 0.80 | MCHR1 (0.41) | CNR2CYP2C8CYP2D6CNR1CYP2C19 | |
| SCHEMBL696415 | 0.77 | CTSL (0.42) | CNR2MCHR1ULK1SCN9AFPR2 | |
| SCHEMBL696031 | 0.75 | HCRTR1 (0.39) | CNR2CYP2C8CYP2D6CNR1CYP2C19 | |
| SCHEMBL695507 | 0.75 | KMT2A (0.41) | CNR2CYP2C8CYP2D6CNR1CYP2C19 |
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 |