Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 9/20 | 0.51 |
| ▸ | CTSK | P43235 | 3/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | BRAF | P15056 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | GHSR | Q92847 | 2/20 | 0.37 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1499076 | 0.86 | CTSC (0.71) | CTSCCTSKKCNH2 | |
| SCHEMBL8039004 | 0.84 | CTSC (0.58) | CTSCCTSKKCNH2CYP3A4CYP2D6 | |
| SCHEMBL8039150 | 0.82 | CTSC (0.59) | CTSCCTSKKCNH2CYP3A4CYP2D6 | |
| SCHEMBL8036103 | 0.82 | CTSC (0.60) | CTSCCTSKKCNH2 | |
| Trifluoroacetic Acid SCHEMBL2075461 | 0.82 | CTSC (0.67) | CTSCCTSKKCNH2 | |
| SCHEMBL8041660 | 0.81 | CTSC (0.48) | CTSCCTSKKCNH2CYP3A4CYP2D6 | |
| SCHEMBL8023034 | 0.80 | CTSC (0.52) | CTSCCTSKKCNH2BRAFHTR2C | |
| SCHEMBL7857540 | 0.80 | CTSC (0.52) | CTSCCTSKKCNH2CYP3A4CYP2D6 | |
| SCHEMBL8032867 | 0.79 | CTSC (0.47) | CTSCCTSKKCNH2KDM4EGHSR | |
| SCHEMBL8040349 | 0.79 | CTSC (0.66) | CTSCCTSKKCNH2CYP3A4CYP2D6 |
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 |