Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.51 |
| ▸ | HTR3B | O95264 | 1/20 | 0.51 |
| ▸ | HTR3A | P46098 | 1/20 | 0.51 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.51 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.51 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.51 |
| ▸ | EGFR | P00533 | 5/20 | 0.49 |
| ▸ | ERBB3 | P21860 | 2/20 | 0.48 |
| ▸ | MPL | P40238 | 1/20 | 0.47 |
| ▸ | JAK2 | O60674 | 1/20 | 0.47 |
| ▸ | JAK1 | P23458 | 1/20 | 0.47 |
| ▸ | TYK2 | P29597 | 1/20 | 0.47 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.44 |
| ▸ | MET | P08581 | 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 | |
|---|---|---|---|---|
| SCHEMBL3949696 | 0.91 | HTR3E (0.59) | HTR3EHTR3BHTR3AROCK1HTR3D | |
| Trifluoroacetic Acid SCHEMBL27764188 | 0.84 | EGFR (0.49) | HTR3EHTR3BHTR3AROCK1HTR3D | |
| SCHEMBL658048 | 0.76 | SYK (0.60) | EGFRJAK2JAK1TYK2MKNK1 | |
| SCHEMBL11170874 | 0.76 | TNNI3K (0.51) | ROCK1EGFRTNNI3KMKNK1 | |
| SCHEMBL28707674 | 0.76 | MKNK1 (0.45) | EGFRMPLJAK2JAK1TYK2 | |
| SCHEMBL27607062 | 0.73 | ROCK1 (0.65) | ROCK1ABL1BCR | |
| SCHEMBL4400350 | 0.73 | EGFR (0.54) | EGFRTNNI3KMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL8798729 | 0.73 | GSK3A (0.52) | EGFRMPLTNNI3KMKNK1PTGS1 | |
| SCHEMBL30199845 | 0.73 | EGFR (0.54) | EGFRTNNI3KMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL3957102 | 0.72 | HTR3E (0.58) | HTR3EHTR3BHTR3AROCK1HTR3D |
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 |