Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 6/20 | 0.47 |
| ▸ | CTSK | P43235 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 13/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 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 | |
|---|---|---|---|---|
| SCHEMBL3657635 | 0.84 | CTSC (0.60) | CTSCCTSKKCNH2 | |
| SCHEMBL3657671 | 0.81 | CTSC (0.44) | CTSCMCHR1PAX8 | |
| SCHEMBL1499323 | 0.79 | CTSC (0.72) | CTSCCTSKKCNH2 | |
| SCHEMBL1499321 | 0.79 | CTSC (0.72) | CTSCCTSKKCNH2 | |
| SCHEMBL1499028 | 0.79 | CTSC (0.52) | CTSCCTSKKCNH2 | |
| SCHEMBL1499156 | 0.78 | CTSC (0.47) | CTSCCTSKKCNH2MCHR1 | |
| SCHEMBL1499011 | 0.77 | CTSC (0.44) | CTSCCTSKKCNH2 | |
| SCHEMBL1499181 | 0.77 | CTSC (0.61) | CTSCCTSKKCNH2 | |
| SCHEMBL1498990 | 0.76 | CTSC (0.52) | CTSCCTSKKCNH2 | |
| SCHEMBL3660901 | 0.76 | CTSS (0.48) | CTSKMCHR1 |
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 |