Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 7/20 | 0.47 |
| ▸ | CTSK | P43235 | 3/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.43 |
| ▸ | GHSR | Q92847 | 7/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.40 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2074963 | 0.86 | CTSC (0.66) | CTSCCTSKKCNH2 | |
| Trifluoroacetic Acid SCHEMBL2074863 | 0.82 | CTSC (0.63) | CTSCCTSKKCNH2 | |
| SCHEMBL7857540 | 0.80 | CTSC (0.52) | CTSCCTSKKCNH2GHSR | |
| SCHEMBL8041660 | 0.80 | CTSC (0.48) | CTSCCTSKKCNH2ITGB1ITGA4 | |
| SCHEMBL8039004 | 0.80 | CTSC (0.58) | CTSCCTSKKCNH2GHSR | |
| SCHEMBL8031912 | 0.80 | CTSC (0.56) | CTSCCTSKKCNH2GHSRITGB1 | |
| SCHEMBL8039503 | 0.79 | CTSC (0.51) | CTSCCTSKKCNH2KDM4EGHSR | |
| SCHEMBL8039150 | 0.79 | CTSC (0.59) | CTSCCTSKKCNH2 | |
| SCHEMBL8034395 | 0.78 | CTSC (0.49) | CTSCCTSKKCNH2KDM4EGHSR | |
| SCHEMBL8031916 | 0.78 | CTSC (0.54) | CTSCCTSKKCNH2MEN1KMT2A |
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 |