Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 2/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.37 |
| ▸ | ELOVL6 | Q9H5J4 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | FPR2 | P25090 | 2/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 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 | |
|---|---|---|---|---|
| SCHEMBL695190 | 0.91 | HCRTR1 (0.39) | HCRTR1HCRTR2CNR2CYP2C8CYP2D6 | |
| SCHEMBL695507 | 0.89 | KMT2A (0.41) | KMT2ACNR2CYP2C8CYP2D6CNR1 | |
| SCHEMBL695240 | 0.85 | CNR2 (0.41) | KMT2ACNR2CYP2C8CYP2D6CNR1 | |
| SCHEMBL695727 | 0.84 | CHRM1 (0.35) | LMNAHSD11B1 | |
| SCHEMBL696806 | 0.83 | HSD11B1 (0.43) | HCRTR1HCRTR2KMT2ACNR2CYP2C8 | |
| SCHEMBL694119 | 0.81 | CNR2 (0.38) | KMT2ACNR2CYP2C8CYP2D6CNR1 | |
| SCHEMBL694457 | 0.81 | AADAT (0.36) | HSD11B1 | |
| SCHEMBL694698 | 0.80 | TSHR (0.42) | KMT2ACNR2CYP2C8CYP2D6CNR1 | |
| SCHEMBL696136 | 0.80 | AADAT (0.39) | HPGDHSD11B1 | |
| SCHEMBL696225 | 0.78 | KMT2A (0.37) | KMT2ALMNAALDH1A1FPR2 |
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 |