Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 6/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | GALR1 | P47211 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.40 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.40 |
| ▸ | USP7 | Q93009 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.39 |
| ▸ | MPI | P34949 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29244161 | 0.81 | NISCH (0.43) | KCNH2SCN10AGALR1PIM1PIM2 | |
| SCHEMBL5840598 | 0.70 | SLC13A5 (0.51) | DYRK1AKCNH2SCN10AXDHGALR1 | |
| SCHEMBL29244205 | 0.70 | SCN9A (0.40) | HSD11B1 | |
| SCHEMBL27721868 | 0.70 | CHRM2 (0.42) | — | |
| SCHEMBL14893381 | 0.69 | GALR1 (0.45) | DYRK1AKCNH2SCN10AXDHGALR1 | |
| SCHEMBL3147185 | 0.69 | GPR3 (0.50) | XDHGALR1PIM1PIM2MPI | |
| SCHEMBL30600082 | 0.68 | DYRK1A (0.55) | DYRK1AKCNH2SCN10AXDHSLC6A7 | |
| SCHEMBL8103598 | 0.68 | DYRK1A (0.61) | DYRK1AKCNH2SCN10AXDHGALR1 | |
| SCHEMBL5274981 | 0.67 | MAPK14 (0.47) | DYRK1AKCNH2SCN10AXDHGALR1 | |
| SCHEMBL5542229 | 0.66 | PTGES2 (0.50) | DYRK1AKCNH2SCN10AXDHGALR1 |
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-118290434-A | Spiropiperidine derivative containing alpha-methylene-gamma-butyrolactone, preparation method and application thereof | 南开大学 | 2024-07-05 | — | — | CN | claimed |
| CN-118290434-A | Spiropiperidine derivative containing alpha-methylene-gamma-butyrolactone, preparation method and application thereof | 南开大学 | 2024-07-05 | — | — | CN | disclosed |