Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | KCNH3 | Q9ULD8 | 3/20 | 0.49 |
| ▸ | MGLL | Q99685 | 1/20 | 0.49 |
| ▸ | GSK3B | P49841 | 2/20 | 0.46 |
| ▸ | PRKCA | P17252 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | RAD52 | P43351 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL632144 | 0.89 | MGLL (0.52) | ALDH1A1MAPTKCNH3MGLLHDAC1 | |
| SCHEMBL26906 | 0.82 | ALDH1A1 (0.73) | ALDH1A1MAPTKCNH3KDM4ELMNA | |
| SCHEMBL14149699 | 0.82 | MAPT (0.50) | ALDH1A1MAPTKCNH3MGLLHDAC1 | |
| SCHEMBL30505169 | 0.82 | MAPT (0.50) | ALDH1A1MAPTKCNH3MGLLHDAC1 | |
| SCHEMBL7828564 | 0.81 | MAPT (0.48) | ALDH1A1MAPTMGLLHDAC1HDAC6 | |
| Hydrochloric Acid SCHEMBL16987 | 0.81 | ALDH1A1 (0.70) | ALDH1A1MAPTKCNH3KDM4ELMNA | |
| SCHEMBL7776469 | 0.81 | ALDH1A1 (0.70) | ALDH1A1MAPTKCNH3KDM4ELMNA | |
| Ammonia Solution, Strong SCHEMBL27928249 | 0.81 | ALDH1A1 (0.70) | ALDH1A1MAPTKCNH3KDM4ELMNA | |
| SCHEMBL27928250 | 0.81 | ALDH1A1 (0.70) | ALDH1A1MAPTKCNH3KDM4ELMNA | |
| SCHEMBL13591278 | 0.80 | KIF11 (0.51) | ALDH1A1MGLLGSK3BKDREGFR |
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-108727213-B | Preparation method of shakubiqu | 中国科学院上海有机化学研究所 | 2021-06-08 | — | — | CN | disclosed |