Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 10/20 | 0.48 |
| ▸ | CTSK | P43235 | 4/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1499282 | 0.87 | CTSC (0.67) | CTSCCTSKKCNH2 | |
| SCHEMBL2072333 | 0.87 | CTSC (0.67) | CTSCCTSKKCNH2 | |
| SCHEMBL1499284 | 0.87 | CTSC (0.67) | CTSCCTSKKCNH2 | |
| SCHEMBL8039150 | 0.80 | CTSC (0.59) | CTSCCTSKKCNH2HTR2C | |
| SCHEMBL8039004 | 0.79 | CTSC (0.58) | CTSCCTSKKCNH2HTR2C | |
| SCHEMBL12844186 | 0.78 | CTSC (0.57) | CTSCCTSKKCNH2HTR2CHDAC1 | |
| SCHEMBL7850114 | 0.77 | CTSC (0.53) | CTSCCTSKKCNH2HTR2C | |
| SCHEMBL8038028 | 0.77 | CTSC (0.56) | CTSCCTSKKCNH2HTR2CHDAC1 | |
| SCHEMBL8040349 | 0.76 | CTSC (0.66) | CTSCCTSKKCNH2HTR2CHDAC1 | |
| SCHEMBL8036119 | 0.76 | CTSC (0.55) | CTSCCTSKKCNH2HTR2C |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009074829-A1 | PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS | ASTRAZENECA AB (SE) | 2009-06-18 | — | — | WO | disclosed |