Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ACE | P12821 | 5/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP7 | P09237 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MMP12 | P39900 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | FKBP1A | P62942 | 4/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL695637 | 0.91 | FKBP1A (0.42) | ALDH1A1HPGDMMP1MMP7MMP8 | |
| SCHEMBL696054 | 0.89 | ACE (0.37) | ALDH1A1HPGDACEMMP1MMP7 | |
| SCHEMBL695528 | 0.86 | CCR4 (0.36) | ALDH1A1HPGDACEMMP1MMP7 | |
| SCHEMBL3719340 | 0.82 | RAB9A (0.37) | KEAP1RAB9ALMNA | |
| SCHEMBL3724272 | 0.81 | FKBP1A (0.37) | ALDH1A1FKBP1A | |
| SCHEMBL696519 | 0.80 | FKBP1A (0.40) | ALDH1A1HPGDMMP1MMP7MMP8 | |
| SCHEMBL695644 | 0.79 | KMT2A (0.35) | ALDH1A1HPGDKEAP1LMNA | |
| SCHEMBL696150 | 0.78 | FKBP1A (0.40) | ALDH1A1HPGDMMP1MMP7MMP8 | |
| SCHEMBL696225 | 0.73 | KMT2A (0.37) | ALDH1A1LMNA | |
| SCHEMBL695240 | 0.72 | CNR2 (0.41) | ALDH1A1LMNA |
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 |