Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | GPR183 | P32249 | 1/20 | 0.34 |
| ▸ | CCR1 | P32246 | 1/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29822795 | 0.92 | MAPT (0.37) | ALDH1A1KMT2AMEN1GAALMNA | |
| SCHEMBL29079994 | 0.85 | LMNA (0.43) | ALDH1A1KMT2APOLBMEN1CCR1 | |
| SCHEMBL29079982 | 0.85 | ACHE (0.39) | ALDH1A1HRH3KMT2AGAALMNA | |
| SCHEMBL29079983 | 0.84 | NPC1 (0.39) | ALDH1A1HRH3KMT2AMEN1CCR1 | |
| SCHEMBL29080008 | 0.82 | LMNA (0.44) | ALDH1A1HRH3KMT2AGAALMNA | |
| SCHEMBL29822631 | 0.81 | GRIK2 (0.36) | ALDH1A1KMT2AMEN1LMNAMAPT | |
| SCHEMBL29079995 | 0.81 | GRIK2 (0.36) | ALDH1A1KMT2AMEN1LMNAMAPT | |
| SCHEMBL29079997 | 0.73 | LMNA (0.40) | KMT2APOLBMEN1LMNAMAPT | |
| SCHEMBL28627481 | 0.68 | ALDH1A1 (0.62) | ALDH1A1KMT2APOLBMEN1LMNA | |
| SCHEMBL4020050 | 0.68 | HTT (0.45) | ALDH1A1KMT2APOLBLMNAMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114853664-B | Method for synthesizing alpha, beta-unsaturated cyclohexyl ketone compound under palladium catalysis condition | 河南大学 | 2023-09-29 | — | — | CN | disclosed |
| CN-114853664-A | Method for synthesizing alpha, beta-unsaturated heterocyclic hexyl ketone compound under palladium catalysis condition | 河南大学 | 2022-08-05 | — | — | CN | disclosed |