Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.51 |
| ▸ | MAPT | P10636 | 7/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.48 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | SI | P14410 | 1/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL29237806 | 1.00 | ALDH1A1 (0.51) | ALDH1A1MAPTLMNAPDK2PDK4 | |
| SCHEMBL29651321 | 0.74 | PDK2 (0.57) | ALDH1A1MAPTLMNAPDK2PDK4 | |
| SCHEMBL318947 | 0.74 | PDK2 (0.57) | ALDH1A1MAPTLMNAPDK2PDK4 | |
| SCHEMBL25340217 | 0.73 | LMNA (0.76) | ALDH1A1MAPTLMNAPDK2PDK4 | |
| SCHEMBL2266448 | 0.71 | PDK2 (0.64) | ALDH1A1MAPTLMNAPDK2PDK4 | |
| SCHEMBL2264504 | 0.71 | PDK2 (0.64) | ALDH1A1MAPTLMNAPDK2PDK4 | |
| SCHEMBL2264508 | 0.71 | PDK2 (0.64) | ALDH1A1MAPTLMNAPDK2PDK4 | |
| SCHEMBL29237808 | 0.71 | PDK2 (0.53) | ALDH1A1MAPTLMNAPDK2PDK4 | |
| SCHEMBL31030968 | 0.69 | ALDH1A1 (0.42) | ALDH1A1MAPTPDK2L3MBTL1MAPK1 | |
| SCHEMBL31155766 | 0.68 | ALDH1A1 (0.38) | ALDH1A1MAPTLMNAPDK2PDK4 |
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-118239862-A | Chiral monofluorone carbonyl substituted nitrile compound and preparation method and application thereof | 上海应用技术大学 | 2024-06-25 | — | — | CN | disclosed |