Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 20/20 | 0.63 |
| ▸ | CTSK | P43235 | 5/20 | 0.63 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL2072993 | 1.00 | CTSC (0.63) | CTSCCTSKKCNH2 | |
| SCHEMBL4398633 | 1.00 | CTSC (0.63) | CTSCCTSKKCNH2 | |
| Trifluoroacetic Acid SCHEMBL2294609 | 0.95 | CTSC (0.60) | CTSCCTSKKCNH2 | |
| SCHEMBL3689681 | 0.90 | CTSC (0.75) | CTSCCTSKKCNH2 | |
| SCHEMBL3689684 | 0.90 | CTSC (0.75) | CTSCCTSKKCNH2 | |
| SCHEMBL2074014 | 0.87 | CTSC (0.68) | CTSCCTSKKCNH2 | |
| SCHEMBL2074012 | 0.87 | CTSC (0.68) | CTSCCTSKKCNH2 | |
| SCHEMBL1498932 | 0.84 | CTSC (0.78) | CTSCCTSKKCNH2 | |
| SCHEMBL2072316 | 0.83 | CTSC (0.76) | CTSCCTSKKCNH2 | |
| SCHEMBL2072318 | 0.83 | CTSC (0.76) | CTSCCTSKKCNH2 |
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 3 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 |