Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.42 |
| ▸ | HTR3B | O95264 | 1/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.42 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | IGF1R | P08069 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28707674 | 0.76 | MKNK1 (0.45) | EGFR | |
| SCHEMBL654349 | 0.72 | AURKA (0.53) | HTR3EHTR3BHTR3AROCK1HTR3D | |
| SCHEMBL16665238 | 0.68 | ROCK1 (0.51) | HTR3EHTR3BHTR3AROCK1HTR3D | |
| SCHEMBL12998775 | 0.66 | KDM4E (0.52) | ROCK1MAPTKDM4EALDH1A1POLB | |
| SCHEMBL14380911 | 0.66 | IGF1R (0.74) | HTR3EHTR3BHTR3AROCK1HTR3D | |
| SCHEMBL3997425 | 0.65 | — | — | |
| SCHEMBL379222 | 0.65 | AURKA (0.69) | MAPTALDH1A1AURKANPC1RAB9A | |
| SCHEMBL28330208 | 0.64 | PIM1 (0.56) | ROCK1MAPTNPC1RAB9AMAPK1 | |
| SCHEMBL31046257 | 0.63 | AURKA (0.73) | HTR3EHTR3BHTR3AROCK1HTR3D | |
| SCHEMBL3241851 | 0.62 | TEK (0.40) | MAPTKDM4EALDH1A1POLBIGF1R |
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-114044774-A | EGFR inhibitor and preparation method and application thereof | 北京超维知药科技有限公司 | 2022-02-15 | — | — | CN | disclosed |