Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH2 | P05091 | 1/20 | 0.71 |
| ▸ | HPGD | P15428 | 7/20 | 0.60 |
| ▸ | POLB | P06746 | 2/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | GHSR | Q92847 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | MMP13 | P45452 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CRHBP | P24387 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL28718762 | 0.92 | ALDH2 (0.67) | ALDH2HPGDPOLBPKMTDP1 | |
| SCHEMBL28722877 | 0.89 | ALDH2 (0.76) | ALDH2HPGDPOLBTDP1MEN1 | |
| SCHEMBL28722876 | 0.85 | ALDH2 (0.72) | ALDH2HPGDPOLBPKMTDP1 | |
| SCHEMBL28716509 | 0.84 | ALDH2 (0.78) | ALDH2HPGDPOLBTDP1MEN1 | |
| SCHEMBL28259740 | 0.84 | ALDH2 (0.82) | ALDH2HPGDPOLBTDP1MEN1 | |
| SCHEMBL503808 | 0.84 | ALDH2 (1.00) | ALDH2HPGDPOLBMEN1KMT2A | |
| SCHEMBL28259432 | 0.83 | ALDH2 (0.80) | ALDH2HPGDPOLBMEN1KMT2A | |
| SCHEMBL29493346 | 0.83 | KMT2A (0.69) | ALDH2HPGDPOLBMEN1KMT2A | |
| SCHEMBL28709378 | 0.83 | KMT2A (0.69) | ALDH2HPGDPOLBMEN1KMT2A | |
| SCHEMBL10107742 | 0.82 | ALDH2 (0.77) | ALDH2HPGDPOLBTDP1MEN1 |
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-114149386-A | Aryl pentadiene amide aldehyde dehydrogenase inhibitor, and synthesis method and application thereof | 中国人民解放军第二军医大学 | 2022-03-08 | — | — | CN | disclosed |