Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 17/20 | 0.54 |
| ▸ | CTSK | P43235 | 3/20 | 0.46 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.40 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28989355 | 0.91 | CTSC (0.45) | CTSCCTSKGPR55KCNJ1 | |
| SCHEMBL28989400 | 0.89 | CTSC (0.42) | CTSCCTSKGPR55KCNH2 | |
| SCHEMBL28700457 | 0.86 | CTSC (0.55) | CTSCCTSKGPR55KCNJ1KCNH2 | |
| SCHEMBL28989791 | 0.85 | CTSC (0.41) | CTSCCTSKGPR55KCNJ1KCNH2 | |
| SCHEMBL24981973 | 0.82 | CTSC (0.63) | CTSCCTSK | |
| SCHEMBL25371156 | 0.82 | CTSC (0.63) | CTSCCTSK | |
| SCHEMBL28989367 | 0.81 | CTSC (0.50) | CTSCCTSK | |
| SCHEMBL24981975 | 0.78 | CTSC (0.56) | CTSCCTSKGPR55KCNJ1 | |
| SCHEMBL28696393 | 0.78 | CTSC (0.56) | CTSCCTSKGPR55KCNJ1 | |
| SCHEMBL28989335 | 0.78 | APP (0.38) | CTSCCTSK |
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 |
|---|---|---|---|---|---|---|---|
| CN-115996923-A | Nitrile derivative as dipeptidyl peptidase 1 inhibitor and application thereof | 四川海思科制药有限公司 | 2023-04-21 | — | — | CN | disclosed |