Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 14/20 | 0.43 |
| ▸ | ANPEP | P15144 | 10/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PEPD | P12955 | 2/20 | 0.34 |
| ▸ | XPNPEP1 | Q9NQW7 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2106422 | 1.00 | MMP2 (0.43) | MMP2ANPEPTP53ALDH1A1PEPD | |
| SCHEMBL696018 | 0.86 | MMP2 (0.44) | MMP2ANPEPTP53ALDH1A1PEPD | |
| SCHEMBL2105273 | 0.86 | MMP2 (0.44) | MMP2ANPEPTP53ALDH1A1PEPD | |
| SCHEMBL2105252 | 0.83 | MMP2 (0.39) | MMP2ANPEPTP53ALDH1A1PEPD | |
| SCHEMBL697247 | 0.83 | MMP2 (0.39) | MMP2ANPEPTP53ALDH1A1PEPD | |
| SCHEMBL2105712 | 0.80 | CTSS (0.47) | MMP2ANPEPMEN1KMT2A | |
| SCHEMBL695501 | 0.80 | CTSS (0.47) | MMP2ANPEPMEN1KMT2A | |
| SCHEMBL696793 | 0.77 | CTSS (0.53) | — | |
| SCHEMBL2105439 | 0.77 | CTSS (0.53) | — | |
| SCHEMBL699391 | 0.76 | NR1H2 (0.46) | MMP2ANPEPTP53ALDH1A1 |
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 |