Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | HPGD | P15428 | 5/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | GAA | P10253 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 7/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | KCNH3 | Q9ULD8 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 3/20 | 0.45 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.45 |
| ▸ | MAP2K4 | P45985 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28257291 | 0.84 | LOXL2 (0.53) | ALDH1A1HPGDKDM4EHSD17B10MAPT | |
| SCHEMBL28257168 | 0.83 | APP (0.46) | HPGDGAAMAPTTSHRLMNA | |
| SCHEMBL28257132 | 0.83 | KDM4E (0.51) | ALDH1A1HPGDKDM4EGAAHSD17B10 | |
| SCHEMBL28255602 | 0.82 | HPGD (0.55) | ALDH1A1HPGDKDM4EGAAHSD17B10 | |
| SCHEMBL28257164 | 0.81 | APP (0.51) | ALDH1A1HPGDKDM4EGAAMAPK1 | |
| SCHEMBL28255605 | 0.79 | TSHR (0.63) | ALDH1A1HPGDKDM4EGAAHSD17B10 | |
| SCHEMBL28257153 | 0.78 | VNN1 (0.46) | GAAMAP2K4VNN1 | |
| SCHEMBL29558696 | 0.75 | MEN1 (0.63) | HPGDKDM4EMAPTNPSR1MAPK1 | |
| SCHEMBL28257188 | 0.73 | MEN1 (0.45) | ALDH1A1HPGDKDM4EGAAHSD17B10 | |
| SCHEMBL1715740 | 0.73 | HPGD (0.51) | ALDH1A1HPGDKDM4EGAAHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108929280-A | Pyrazine derivative and its preparation method and pharmaceutical composition and purposes | 中国医学科学院药物研究所 | 2018-12-04 | — | — | CN | claimed |