Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.58 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.39 |
| ▸ | HEXA | P06865 | 1/20 | 0.37 |
| ▸ | HEXB | P07686 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CHKA | P35790 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27966418 | 0.82 | HSP90AA1 (0.51) | HSP90AA1HSP90AB1KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL10900625 | 0.79 | HSP90AA1 (0.71) | HSP90AA1HSP90AB1KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL1576980 | 0.79 | NOS3 (0.54) | HSP90AB1KDM4EHRH3NOS3NOS2 | |
| SCHEMBL31453692 | 0.77 | CYP2C19 (0.40) | HSP90AA1HSP90AB1KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL21928738 | 0.74 | NOS2 (0.52) | HSP90AA1HSP90AB1KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL21731116 | 0.74 | HSP90AA1 (0.37) | HSP90AA1HSP90AB1KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL21212228 | 0.74 | CYP2D6 (0.38) | HSP90AA1HSP90AB1KDM4ENOS3NOS2 | |
| SCHEMBL5361699 | 0.74 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL218379 | 0.74 | HRH3 (0.46) | HRH3NOS3NOS2HRH4HEXA | |
| SCHEMBL28447815 | 0.73 | KDM4E (0.57) | HSP90AA1HSP90AB1KDM4EHSD17B10ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4234548-A1 | SUBSTITUTED BENZO OR PYRIDOPYRIMIDINE AMINE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | Suzhou Zelgen Biopharmaceutical Co., Ltd. (CN) | 2023-08-30 | — | — | EP | disclosed |