Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.30 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22518862 | 0.85 | CYP2C19 (0.33) | CYP2C19GRM2GRM3 | |
| SCHEMBL22518863 | 0.85 | CYP2C19 (0.33) | CYP2C19GRM2GRM3 | |
| SCHEMBL17428797 | 0.83 | ATM (0.43) | ATMPOLBCYP2C19GRM2GRM3 | |
| SCHEMBL17171344 | 0.81 | ATM (0.42) | ATMPOLBGRM2GRM3 | |
| SCHEMBL28153197 | 0.81 | MMP2 (0.45) | POLBALDH1A1CYP2D6CYP2C9 | |
| SCHEMBL16824583 | 0.77 | HSD17B10 (0.46) | USP2 | |
| SCHEMBL934024 | 0.77 | HSD17B10 (0.46) | USP2 | |
| SCHEMBL14488388 | 0.77 | HSD17B10 (0.46) | USP2 | |
| SCHEMBL22845171 | 0.76 | ATM (0.35) | ATMCYP2C19ALDH1A1MAPK1 | |
| SCHEMBL22831693 | 0.75 | CYP2D6 (0.46) | ATMUSP2CYP2C19ALDH1A1MAPK1 |
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-106928127-B | Substituted piperidine amide derivative, preparation method and pharmaceutical application thereof | 四川海思科制药有限公司 | 2021-07-16 | — | — | CN | disclosed |
| CN-106928127-A | Substituted piperidine class amide derivatives and preparation method thereof and application pharmaceutically | 四川海思科制药有限公司 | 2017-07-07 | — | — | CN | disclosed |