Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.69 |
| ▸ | MEN1 | O00255 | 4/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.69 |
| ▸ | TSHR | P16473 | 3/20 | 0.69 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.66 |
| ▸ | GHSR | Q92847 | 1/20 | 0.62 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 6/20 | 0.56 |
| ▸ | POLB | P06746 | 3/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL29493346 | 1.00 | KMT2A (0.69) | KMT2AMEN1KDM4ETSHRALDH2 | |
| SCHEMBL28709369 | 0.83 | ALDH2 (0.71) | KMT2AMEN1TSHRALDH2GHSR | |
| SCHEMBL28722876 | 0.82 | ALDH2 (0.72) | KMT2AMEN1KDM4ETSHRALDH2 | |
| SCHEMBL28259740 | 0.81 | ALDH2 (0.82) | KMT2AMEN1KDM4ETSHRALDH2 | |
| SCHEMBL503808 | 0.81 | ALDH2 (1.00) | KMT2AMEN1KDM4ETSHRALDH2 | |
| SCHEMBL28259432 | 0.80 | ALDH2 (0.80) | KMT2AMEN1KDM4ETSHRALDH2 | |
| SCHEMBL28722877 | 0.80 | ALDH2 (0.76) | KMT2AMEN1TSHRALDH2GHSR | |
| SCHEMBL28716509 | 0.79 | ALDH2 (0.78) | KMT2AMEN1TSHRALDH2GHSR | |
| SCHEMBL28716528 | 0.79 | ALDH2 (0.62) | KMT2AMEN1KDM4ETSHRALDH2 | |
| SCHEMBL28718762 | 0.79 | ALDH2 (0.67) | KMT2AMEN1TSHRALDH2GHSR |
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 |