Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 11/20 | 0.45 |
| ▸ | CTSK | P43235 | 9/20 | 0.45 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.43 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.42 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 4/20 | 0.38 |
| ▸ | CTSL | P07711 | 2/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16064445 | 1.00 | CTSS (0.45) | CTSSCTSKAAK1ROCK1PRMT5 | |
| SCHEMBL30219006 | 1.00 | CTSS (0.45) | CTSSCTSKAAK1ROCK1PRMT5 | |
| SCHEMBL25528857 | 0.84 | AAK1 (0.45) | CTSSCTSKAAK1ROCK1PRMT5 | |
| SCHEMBL17258271 | 0.84 | AAK1 (0.45) | CTSSCTSKAAK1ROCK1PRMT5 | |
| SCHEMBL17258286 | 0.84 | AAK1 (0.45) | CTSSCTSKAAK1ROCK1PRMT5 | |
| SCHEMBL17002747 | 0.84 | CTSS (0.46) | CTSSCTSKAAK1ROCK1PRMT5 | |
| SCHEMBL16064953 | 0.84 | ESR2 (0.51) | CTSSCTSKAAK1PRMT5WDR77 | |
| SCHEMBL19154996 | 0.80 | CTSS (0.52) | CTSSCTSKCTSBCTSLTRPA1 | |
| SCHEMBL18643677 | 0.80 | CTSC (0.41) | CTSKROCK1 | |
| SCHEMBL22643274 | 0.80 | BACE1 (0.37) | CTSKROCK1BACE1BACE2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116332937-A | Dipeptidyl peptidase I inhibitors and uses thereof | 杭州邦顺制药有限公司 | 2023-06-27 | — | — | CN | disclosed |
| 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 |