Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 15/20 | 0.51 |
| ▸ | CTSK | P43235 | 3/20 | 0.44 |
| ▸ | CTSS | P25774 | 2/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.37 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29455300 | 1.00 | CTSC (0.51) | CTSCCTSKCTSSCTSBKCNH2 | |
| SCHEMBL25146469 | 1.00 | CTSC (0.51) | CTSCCTSKCTSSCTSBKCNH2 | |
| SCHEMBL25371156 | 0.89 | CTSC (0.63) | CTSCCTSKCTSS | |
| SCHEMBL24981973 | 0.89 | CTSC (0.63) | CTSCCTSKCTSS | |
| SCHEMBL20162066 | 0.87 | CTSC (0.60) | CTSCCTSKCTSSCTSBKCNH2 | |
| SCHEMBL30194946 | 0.87 | CTSC (0.60) | CTSCCTSKCTSSCTSBKCNH2 | |
| SCHEMBL16940311 | 0.87 | CTSC (0.60) | CTSCCTSKCTSSCTSBKCNH2 | |
| SCHEMBL24981554 | 0.84 | CTSC (0.46) | CTSCCTSKKCNH2 | |
| SCHEMBL28989792 | 0.84 | CTSC (0.46) | CTSCCTSKKCNH2 | |
| SCHEMBL29455313 | 0.84 | CTSC (0.46) | CTSCCTSKKCNH2 |
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 |