Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TYR | P14679 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 5/20 | 0.39 |
| ▸ | ACHE | P22303 | 5/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10599472 | 0.85 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1 | |
| SCHEMBL13220841 | 0.83 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1 | |
| SCHEMBL5168465 | 0.81 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1 | |
| SCHEMBL4444863 | 0.81 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1 | |
| SCHEMBL7246789 | 0.78 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1 | |
| SCHEMBL11102011 | 0.78 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1 | |
| SCHEMBL10684156 | 0.78 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1 | |
| SCHEMBL11196940 | 0.78 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1 | |
| SCHEMBL2161163 | 0.78 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1 | |
| SCHEMBL25005827 | 0.76 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1 |
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-110713448-B | Preparation method of carbon dioxide-participated dithioacetal | 清华大学 | 2020-08-18 | — | — | CN | disclosed |
| CN-110713448-A | Preparation method of carbon dioxide-participated dithioacetal | 清华大学 | 2020-01-21 | — | — | CN | disclosed |