Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 12/20 | 0.61 |
| ▸ | CTSK | P43235 | 4/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.61 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | PFKFB2 | O60825 | 5/20 | 0.36 |
| ▸ | PFKFB1 | P16118 | 5/20 | 0.36 |
| ▸ | PFKFB3 | Q16875 | 5/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | WNT1 | P04628 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1498990 | 0.85 | CTSC (0.52) | CTSCCTSKKCNH2HTR2C | |
| SCHEMBL1499028 | 0.85 | CTSC (0.52) | CTSCCTSKKCNH2HTR2C | |
| SCHEMBL1499101 | 0.83 | CTSC (0.51) | CTSCCTSKKCNH2HTR2CPFKFB2 | |
| SCHEMBL2073440 | 0.82 | CTSC (0.87) | CTSCCTSKKCNH2 | |
| SCHEMBL1499178 | 0.82 | CTSC (0.87) | CTSCCTSKKCNH2 | |
| SCHEMBL1499071 | 0.81 | CTSC (0.49) | CTSCCTSKKCNH2HTR2CPFKFB2 | |
| SCHEMBL4247301 | 0.80 | CTSC (0.49) | CTSCCTSKKCNH2HTR2C | |
| SCHEMBL4247298 | 0.80 | CTSC (0.49) | CTSCCTSKKCNH2HTR2C | |
| SCHEMBL3657635 | 0.79 | CTSC (0.60) | CTSCCTSKKCNH2HTR2C | |
| SCHEMBL1499171 | 0.78 | CTSC (0.50) | CTSCCTSKKCNH2HTR2CBRAF |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2011506421-A | — | — | 2011-03-03 | — | — | JP | claimed |
| EP-2231597-A1 | PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS | AstraZeneca AB (SE) | 2010-09-29 | — | — | EP | claimed |
| WO-2009074829-A1 | PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS | ASTRAZENECA AB (SE) | 2009-06-18 | — | — | WO | claimed |
| 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 |