Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MLYCD | O95822 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30749646 | 0.86 | OPRM1 (0.44) | ALDH1A1NPC1L3MBTL1KDM4EMAOA | |
| SCHEMBL10641881 | 0.81 | HPGD (0.47) | EGFRERBB2CA12CA1CA9 | |
| SCHEMBL27300688 | 0.77 | MAOA (0.49) | CA1ALDH1A1POLBMAOAMAOB | |
| SCHEMBL29209361 | 0.74 | TMEM97 (0.50) | NPC1L3MBTL1POLBMEN1KMT2A | |
| SCHEMBL25405722 | 0.72 | KMT2A (0.49) | NPC1MEN1KMT2ASMN1; SMN2TSPO | |
| SCHEMBL12841554 | 0.71 | ALDH1A1 (0.47) | CA1ALDH1A1KDM4EPOLBGAA | |
| SCHEMBL2080074 | 0.70 | CES2 (0.52) | CA1ALDH1A1NPC1L3MBTL1KDM4E | |
| SCHEMBL28013721 | 0.70 | ALDH1A1 (0.45) | ALDH1A1NPC1KDM4EPOLBGAA | |
| SCHEMBL11751676 | 0.69 | GSK3B (0.53) | CA12CA1CA9ALDH1A1NPC1 | |
| SCHEMBL28409458 | 0.69 | EGFR (0.65) | EGFRERBB2ALDH1A1NPC1L3MBTL1 |
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-117510291-A | Preparation method of acrylamide compound | 昆明理工大学 | 2024-02-06 | — | — | CN | disclosed |