Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APEX1 | P27695 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | STAT6 | P42226 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.51 |
| ▸ | HPGD | P15428 | 6/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28996772 | 1.00 | APEX1 (0.59) | APEX1CYP1A2CYP2D6CYP3A4CYP2C19 | |
| SCHEMBL28996770 | 1.00 | APEX1 (0.59) | APEX1CYP1A2CYP2D6CYP3A4CYP2C19 | |
| SCHEMBL6159705 | 0.80 | CYP1A2 (0.52) | APEX1CYP1A2CYP2D6CYP3A4CYP2C19 | |
| SCHEMBL10037466 | 0.80 | APEX1 (0.64) | APEX1CYP1A2CYP2D6CYP3A4CYP2C19 | |
| SCHEMBL10565707 | 0.78 | APEX1 (0.71) | APEX1CYP1A2CYP2D6CYP3A4CYP2C19 | |
| SCHEMBL10533378 | 0.77 | APEX1 (0.69) | APEX1CYP1A2CYP2D6CYP3A4CYP2C19 | |
| SCHEMBL366870 | 0.77 | APEX1 (0.61) | APEX1CYP1A2CYP2D6CYP3A4CYP2C19 | |
| SCHEMBL29023739 | 0.77 | APEX1 (0.61) | APEX1CYP1A2CYP2D6CYP3A4CYP2C19 | |
| SCHEMBL29023735 | 0.77 | APEX1 (0.61) | APEX1CYP1A2CYP2D6CYP3A4CYP2C19 | |
| SCHEMBL11841265 | 0.77 | APEX1 (0.69) | APEX1CYP1A2CYP2D6CYP3A4CYP2C19 |
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-114591991-B | Method for preparing calcipotriol key chiral intermediate based on short-chain carbonyl reductase | 西南交通大学 | 2023-05-09 | — | — | CN | claimed |