Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 4/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 6/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 6/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 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 | |
|---|---|---|---|---|
| SCHEMBL3719493 | 0.90 | CTSS (0.37) | KEAP1NFE2L2ALDH1A1KDM4ERORC | |
| SCHEMBL694889 | 0.88 | P2RX7 (0.40) | HCRTR1HCRTR2RORC | |
| SCHEMBL694457 | 0.86 | AADAT (0.36) | KEAP1TSHR | |
| SCHEMBL3718383 | 0.85 | CTSS (0.36) | KEAP1NFE2L2ALDH1A1KDM4ERORC | |
| SCHEMBL696136 | 0.83 | AADAT (0.39) | KEAP1TSHR | |
| SCHEMBL3723608 | 0.82 | RORC (0.38) | HCRTR1HCRTR2RORC | |
| SCHEMBL3725935 | 0.82 | P2RX7 (0.43) | AGTR2RORC | |
| SCHEMBL696304 | 0.80 | FKBP1A (0.39) | TSHR | |
| SCHEMBL690481 | 0.79 | TSHR (0.36) | ALDH1A1TSHR | |
| SCHEMBL695533 | 0.78 | OPRM1 (0.41) | ALDH1A1HTTTSHRLMNA |
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 |