Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | MET | P08581 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
| ▸ | PI4KA | P42356 | 1/20 | 0.35 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11016027 | 0.92 | ALDH1A1 (0.52) | ALDH1A1CYP3A4CYP1A2CYP2C19NPC1 | |
| SCHEMBL6167341 | 0.85 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CYP1A2CYP2C19NPC1 | |
| SCHEMBL13390581 | 0.84 | ALDH1A1 (0.41) | ALDH1A1CYP3A4CYP1A2CYP2C19NPC1 | |
| SCHEMBL11631724 | 0.81 | SAE1 (0.46) | ALDH1A1NPC1RAB9APOLBLMNA | |
| SCHEMBL8194734 | 0.80 | ALDH1A1 (0.40) | ALDH1A1CYP3A4CYP1A2CYP2C19NPC1 | |
| SCHEMBL7410889 | 0.80 | ESR1 (0.45) | ALDH1A1CYP3A4CYP1A2CYP2C19NPC1 | |
| SCHEMBL1059319 | 0.79 | ALDH1A1 (0.44) | ALDH1A1CYP3A4NPC1RAB9APOLB | |
| SCHEMBL2756748 | 0.79 | ALDH1A1 (0.67) | ALDH1A1CYP3A4NPC1POLBCA2 | |
| SCHEMBL3060324 | 0.78 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP2C19NPC1RAB9A | |
| SCHEMBL16892170 | 0.78 | NPC1 (0.41) | ALDH1A1CYP1A2NPC1RAB9APOLB |
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-110294732-B | Pharmaceutical compound for treating liver diseases and application thereof | 江苏新元素医药科技有限公司 | 2021-10-26 | — | — | CN | disclosed |