Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 15/20 | 0.59 |
| ▸ | CTSK | P43235 | 4/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.59 |
| ▸ | HTR2C | P28335 | 2/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | YARS1 | P54577 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8039004 | 0.90 | CTSC (0.58) | CTSCCTSKKCNH2HTR2CHTR2B | |
| SCHEMBL8040349 | 0.87 | CTSC (0.66) | CTSCCTSKKCNH2HTR2CHTR2B | |
| SCHEMBL8036119 | 0.87 | CTSC (0.55) | CTSCCTSKKCNH2HTR2CHTR2B | |
| SCHEMBL12844186 | 0.84 | CTSC (0.57) | CTSCCTSKKCNH2HTR2C | |
| SCHEMBL8023034 | 0.84 | CTSC (0.52) | CTSCCTSKKCNH2HTR2CHTR2B | |
| SCHEMBL8038028 | 0.83 | CTSC (0.56) | CTSCCTSKKCNH2HTR2C | |
| SCHEMBL7857540 | 0.83 | CTSC (0.52) | CTSCCTSKKCNH2HTR2CHTR2B | |
| SCHEMBL2073455 | 0.83 | CTSC (0.84) | CTSCCTSKKCNH2 | |
| SCHEMBL8031912 | 0.83 | CTSC (0.56) | CTSCCTSKKCNH2HTR2CCYP3A4 | |
| SCHEMBL8039503 | 0.82 | CTSC (0.51) | CTSCCTSKKCNH2HTR2CCYP3A4 |
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 |