Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNJ1 | P48048 | 11/20 | 0.39 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.38 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.38 |
| ▸ | CTSC | P53634 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL25146985 | 1.00 | KCNJ1 (0.39) | KCNJ1GPR55SCD5CTSCALDH1A1 | |
| SCHEMBL24981827 | 0.87 | KCNJ1 (0.43) | KCNJ1GPR55SCD5CTSCALDH1A1 | |
| SCHEMBL24981577 | 0.85 | KCNJ1 (0.51) | KCNJ1GPR55SCD5CTSC | |
| SCHEMBL24981584 | 0.82 | KCNJ1 (0.45) | KCNJ1GPR55SCD5CTSCALDH1A1 | |
| SCHEMBL24982008 | 0.81 | KCNJ1 (0.43) | KCNJ1GPR55SCD5CTSCALDH1A1 | |
| SCHEMBL31095717 | 0.81 | CTSC (0.43) | KCNJ1SCD5CTSCALDH1A1HPGD | |
| SCHEMBL31095787 | 0.80 | CTSC (0.39) | GPR55SCD5CTSCALDH1A1HPGD | |
| SCHEMBL31095604 | 0.80 | CTSC (0.39) | KCNJ1GPR55SCD5CTSCALDH1A1 | |
| SCHEMBL24982023 | 0.80 | GPR55 (0.43) | KCNJ1GPR55SCD5CTSC | |
| SCHEMBL29455547 | 0.80 | GPR55 (0.43) | KCNJ1GPR55SCD5CTSC |
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-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 |