Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 11/20 | 0.44 |
| ▸ | CTSK | P43235 | 10/20 | 0.44 |
| ▸ | REN | P00797 | 3/20 | 0.44 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.41 |
| ▸ | CTSB | P07858 | 2/20 | 0.40 |
| ▸ | CTSL | P07711 | 2/20 | 0.40 |
| ▸ | ACE | P12821 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16065010 | 1.00 | CTSS (0.44) | CTSSCTSKRENAAK1CTSB | |
| SCHEMBL539422 | 0.89 | ACE (0.50) | CTSSCTSKCTSBCTSLACE | |
| SCHEMBL3376657 | 0.89 | ACE (0.50) | CTSSCTSKCTSBCTSLACE | |
| SCHEMBL4245453 | 0.88 | KLK5 (0.46) | CTSSCTSKAAK1CTSBCTSL | |
| SCHEMBL539352 | 0.88 | KLK5 (0.46) | CTSSCTSKAAK1CTSBCTSL | |
| SCHEMBL539351 | 0.88 | KLK5 (0.46) | CTSSCTSKAAK1CTSBCTSL | |
| SCHEMBL24981557 | 0.79 | CTSS (0.46) | CTSSCTSKCTSBCTSL | |
| SCHEMBL28989397 | 0.79 | CTSS (0.46) | CTSSCTSKCTSBCTSL | |
| SCHEMBL9109956 | 0.79 | CTSK (0.68) | CTSSCTSKRENCTSBCTSL | |
| SCHEMBL9109963 | 0.79 | CTSK (0.68) | CTSSCTSKRENCTSBCTSL |
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 |