Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 16/20 | 0.62 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.62 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL25291571 | 0.88 | KHK (0.59) | KHKPDE10A | |
| SCHEMBL25245774 | 0.88 | KHK (0.59) | KHKPDE10A | |
| SCHEMBL30954196 | 0.88 | KHK (0.59) | KHKPDE10A | |
| SCHEMBL30455765 | 0.87 | KHK (0.58) | KHKPDE10AHPGDMAPK1HSD17B10 | |
| SCHEMBL24699193 | 0.86 | KHK (0.65) | KHKPDE10AHPGD | |
| SCHEMBL25245072 | 0.86 | KHK (0.68) | KHKPDE10A | |
| SCHEMBL30454944 | 0.86 | KHK (0.68) | KHKPDE10A | |
| SCHEMBL25289832 | 0.86 | KHK (0.68) | KHKPDE10A | |
| SCHEMBL30016350 | 0.86 | KHK (0.65) | KHKPDE10AHPGD | |
| SCHEMBL25245843 | 0.84 | KHK (0.66) | KHKPDE10A |
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-2023121378-A1 | (S)-2-(2-METHYLAZETIDIN-1-YL)PYRIMIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | 주식회사 엘지화학 | 2023-06-29 | — | — | WO | disclosed |