Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 4/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | ASAH1 | Q13510 | 2/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25865847 | 0.81 | CTSC (0.49) | CTSCCTSKFFAR1FFAR4ASAH1 | |
| SCHEMBL25865853 | 0.78 | CTSC (0.37) | CTSCCTSKCHRM2CHRM4CHRM5 | |
| SCHEMBL20117054 | 0.67 | CHRM2 (0.53) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL25866149 | 0.67 | CBX7 (0.38) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL26527428 | 0.64 | CTSC (0.46) | CTSCASAH1 | |
| SCHEMBL24981975 | 0.63 | CTSC (0.56) | CTSCCTSK | |
| SCHEMBL28696393 | 0.63 | CTSC (0.56) | CTSCCTSK | |
| SCHEMBL31758046 | 0.62 | CTSC (0.44) | CTSCCTSK | |
| SCHEMBL29455670 | 0.61 | CTSC (0.49) | CTSCCTSKASAH1 | |
| SCHEMBL32680807 | 0.61 | CTSC (0.49) | CTSCCTSKASAH1 |
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-2023134656-A1 | PEPTIDYL NITRILE COMPOUND AND USE THEREOF | 上海壹典医药科技开发有限公司 | 2023-07-20 | — | — | WO | disclosed |