Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 5/20 | 0.48 |
| ▸ | CTSK | P43235 | 4/20 | 0.48 |
| ▸ | CTSB | P07858 | 2/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 12/20 | 0.45 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.41 |
| ▸ | MMP12 | P39900 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5170834 | 0.80 | CTSS (0.61) | CTSSCTSKCTSBCTSL | |
| SCHEMBL2074657 | 0.79 | CTSC (0.57) | CTSSCTSKCTSBMMP12MMP13 | |
| SCHEMBL2074655 | 0.79 | CTSC (0.57) | CTSSCTSKCTSBMMP12MMP13 | |
| SCHEMBL3654576 | 0.78 | CTSS (0.46) | CTSSCTSKCTSBCTSL | |
| SCHEMBL3651290 | 0.78 | CTSS (0.46) | CTSSCTSKCTSBCTSL | |
| SCHEMBL6028072 | 0.78 | CTSS (0.46) | CTSSCTSKCTSBCTSL | |
| SCHEMBL3661255 | 0.76 | CTSC (0.47) | CTSKMCHR1 | |
| SCHEMBL30771381 | 0.76 | CTSS (0.47) | CTSSCTSKCTSBCTSL | |
| SCHEMBL3715972 | 0.75 | CTSS (0.46) | CTSSCTSKCTSBCTSL | |
| SCHEMBL31724229 | 0.75 | CTSS (0.44) | CTSSCTSKCTSBCTSL |
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-2231597-A1 | PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS | AstraZeneca AB (SE) | 2010-09-29 | — | — | EP | disclosed |
| WO-2009074829-A1 | PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS | ASTRAZENECA AB (SE) | 2009-06-18 | — | — | WO | disclosed |