Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 15/20 | 0.45 |
| ▸ | CTSK | P43235 | 9/20 | 0.45 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.33 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28989780 | 0.91 | CTSC (0.54) | CTSCCTSKKCNJ1GPR55 | |
| SCHEMBL29455311 | 0.83 | CTSC (0.53) | CTSCCTSK | |
| SCHEMBL28989356 | 0.83 | CTSC (0.53) | CTSCCTSK | |
| SCHEMBL24981071 | 0.83 | CTSC (0.53) | CTSCCTSK | |
| SCHEMBL29455618 | 0.80 | CTSC (0.46) | CTSCCTSKKDM1AKCNJ1GPR55 | |
| SCHEMBL24981072 | 0.80 | CTSC (0.46) | CTSCCTSKKDM1AKCNJ1GPR55 | |
| SCHEMBL28989777 | 0.80 | CTSC (0.46) | CTSCCTSKKDM1AKCNJ1GPR55 | |
| SCHEMBL28989400 | 0.80 | CTSC (0.42) | CTSCCTSKGPR55 | |
| SCHEMBL28989791 | 0.78 | CTSC (0.41) | CTSCCTSKKCNJ1GPR55 | |
| SCHEMBL28700457 | 0.77 | CTSC (0.55) | CTSCCTSKKDM1AKCNJ1GPR55 |
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 |