Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | CDC25B | P30305 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | LIPA | P38571 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL41691 | 0.82 | ALDH1A1 (0.40) | ALDH1A1RAB9ALMNAHTTMEN1 | |
| SCHEMBL12326283 | 0.72 | CES2 (0.39) | ALDH1A1LMNAHTTCES2 | |
| SCHEMBL6741817 | 0.72 | TRIM24 (0.43) | ALDH1A1RAB9AMEN1KMT2AGAA | |
| SCHEMBL29242026 | 0.72 | MEN1 (0.37) | ALDH1A1RAB9ALMNAMEN1KMT2A | |
| Propionitrile SCHEMBL11557803 | 0.72 | ALDH1A1 (0.37) | ALDH1A1RAB9ALMNAHTTMEN1 | |
| Cyclopentanone SCHEMBL10349408 | 0.71 | TRIM24 (0.53) | ALDH1A1LMNAMAPT | |
| SCHEMBL7625850 | 0.70 | ALDH1A1 (0.36) | ALDH1A1RAB9AMEN1KMT2AGAA | |
| SCHEMBL4868148 | 0.69 | HPGD (0.40) | ALDH1A1RAB9ALMNAMEN1KMT2A | |
| SCHEMBL9998715 | 0.69 | LMNA (0.47) | LMNACES2 | |
| SCHEMBL401756 | 0.69 | HPGD (0.40) | ALDH1A1RAB9ALMNAMEN1KMT2A |
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-105817228-B | The method for directly preparing cyclohexanone glycol ketal compounds using flyash catalysis | 黄山学院 | 2018-11-23 | — | — | CN | disclosed |