Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 15/20 | 0.52 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30456470 | 0.80 | KHK (0.62) | KHKPDE10AHPGDMAPK1HSD17B10 | |
| SCHEMBL23764792 | 0.80 | ALDH1A1 (0.43) | KHKPDE10AHPGDMEN1ALDH1A1 | |
| SCHEMBL23753744 | 0.79 | HPGD (0.71) | KHKPDE10AHPGDMAPTMAPK1 | |
| SCHEMBL29906021 | 0.79 | HTR2C (0.60) | KHKPDE10ANR1H2NR1H3 | |
| SCHEMBL30455410 | 0.79 | HTR2C (0.60) | KHKPDE10ANR1H2NR1H3 | |
| SCHEMBL25245774 | 0.77 | KHK (0.59) | KHKPDE10A | |
| SCHEMBL25291571 | 0.77 | KHK (0.59) | KHKPDE10A | |
| SCHEMBL25289832 | 0.77 | KHK (0.68) | KHKPDE10A | |
| SCHEMBL30954196 | 0.77 | KHK (0.59) | KHKPDE10A | |
| SCHEMBL24699193 | 0.77 | KHK (0.65) | KHKPDE10AHPGD |
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-2021129817-A1 | PYRIMIDINE-BASED COMPOUND HAVING INHIBITORY EFFECT OF KETOHEXOKINASE (KHK) | 南京明德新药研发有限公司 | 2021-07-01 | — | — | WO | disclosed |