Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIT | P10721 | 2/20 | 0.42 |
| ▸ | F12 | P00748 | 3/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | DDB1 | Q16531 | 2/20 | 0.40 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.39 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.38 |
| ▸ | SPR | P35270 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| SCHEMBL24914388 | 0.83 | DDB1 (0.52) | KITF12MKNK1MAPTDDB1 | |
| SCHEMBL23580395 | 0.78 | ESR2 (0.42) | F12MKNK1ADORA1DDB1CRBN | |
| SCHEMBL24914504 | 0.77 | MKNK1 (0.42) | MKNK1ADORA1MAPTDDB1CRBN | |
| SCHEMBL24914458 | 0.76 | MTHFD2 (0.60) | F12MAPTDDB1CRBNPARP1 | |
| SCHEMBL24914461 | 0.76 | ADORA1 (0.43) | F12ADORA1MAPTDDB1CRBN | |
| SCHEMBL2485934 | 0.75 | MKNK1 (0.46) | MKNK1MAPTDDB1CRBNNR1H2 | |
| SCHEMBL24914511 | 0.75 | MTHFD2 (0.41) | F12ADORA1MAPTDDB1CRBN | |
| SCHEMBL24914515 | 0.74 | NR1H2 (0.44) | F12MKNK1ADORA1MAPTDDB1 | |
| SCHEMBL30879376 | 0.74 | MKNK1 (0.55) | MKNK1ADORA1MAPTKDM4E | |
| SCHEMBL23580642 | 0.74 | ESR2 (0.42) | F12MKNK1ADORA1DDB1CRBN |
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-2023284807-A1 | COMPOUND CONTAINING TETRAHYDRONAPHTHYRIDONE OR TETRAHYDROPYRIDOPYRIMIDINONE SKELETON, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF | 中国药科大学 | 2023-01-19 | — | — | WO | disclosed |