Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.58 |
| ▸ | MEN1 | O00255 | 5/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 6/20 | 0.56 |
| ▸ | HTT | P42858 | 6/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | RORC | P51449 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 3/20 | 0.49 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.47 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.47 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6811979 | 1.00 | ALDH1A1 (0.58) | ALDH1A1MEN1KMT2ALMNAMAPT | |
| SCHEMBL11009493 | 0.88 | ALDH1A1 (0.60) | ALDH1A1MEN1KMT2ALMNAMAPT | |
| SCHEMBL4959345 | 0.87 | ALDH1A1 (0.60) | ALDH1A1MEN1KMT2ALMNAMAPT | |
| SCHEMBL4959353 | 0.87 | ALDH1A1 (0.60) | ALDH1A1MEN1KMT2ALMNAMAPT | |
| SCHEMBL31125083 | 0.87 | SMN1; SMN2 (0.51) | ALDH1A1MEN1KMT2AMAPTHTT | |
| SCHEMBL3544173 | 0.87 | SMN1; SMN2 (0.51) | ALDH1A1MEN1KMT2AMAPTHTT | |
| SCHEMBL9834299 | 0.85 | ALDH1A1 (0.58) | ALDH1A1MEN1KMT2ALMNAMAPT | |
| SCHEMBL7073743 | 0.85 | ALDH1A1 (0.58) | ALDH1A1MEN1KMT2ALMNAMAPT | |
| SCHEMBL26416850 | 0.84 | ALDH1A1 (0.67) | ALDH1A1MEN1KMT2ALMNAMAPT | |
| SCHEMBL9869867 | 0.83 | ALDH1A1 (0.55) | ALDH1A1MEN1KMT2ALMNAMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116478180-B | Fluorescent macrocycle and application thereof in nitroaromatic compound monitoring | 南通大学 | 2024-03-19 | — | — | CN | claimed |
| CN-116478180-A | Fluorescent macrocycle and application thereof in nitroaromatic compound monitoring | 南通大学 | 2023-07-25 | — | — | CN | claimed |
| CN-116478180-B | Fluorescent macrocycle and application thereof in nitroaromatic compound monitoring | 南通大学 | 2024-03-19 | — | — | CN | disclosed |
| CN-116478180-A | Fluorescent macrocycle and application thereof in nitroaromatic compound monitoring | 南通大学 | 2023-07-25 | — | — | CN | disclosed |