Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 20/20 | 0.45 |
| ▸ | CTSK | P43235 | 7/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL28989363 | 1.00 | CTSC (0.45) | CTSCCTSKKCNH2 | |
| SCHEMBL24981067 | 1.00 | CTSC (0.45) | CTSCCTSKKCNH2 | |
| SCHEMBL29455631 | 1.00 | CTSC (0.45) | CTSCCTSKKCNH2 | |
| SCHEMBL30738902 | 0.87 | CTSC (0.48) | CTSCCTSKKCNH2 | |
| SCHEMBL25369429 | 0.85 | CTSC (0.58) | CTSCCTSKKCNH2 | |
| SCHEMBL24981976 | 0.85 | CTSC (0.58) | CTSCCTSKKCNH2 | |
| SCHEMBL28989283 | 0.85 | CTSC (0.58) | CTSCCTSKKCNH2 | |
| SCHEMBL28989458 | 0.84 | CTSC (0.54) | CTSCCTSK | |
| SCHEMBL29455356 | 0.84 | CTSC (0.54) | CTSCCTSK | |
| SCHEMBL28989460 | 0.84 | CTSC (0.54) | CTSCCTSK |
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-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 |
| WO-2022042591-A1 | NITRILE DERIVATIVE THAT ACTS AS INHIBITOR OF DIPEPTIDYL PEPTIDASE 1 AND USE THEREOF | 四川海思科制药有限公司 | 2022-03-03 | — | — | WO | disclosed |