Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 5/20 | 0.50 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1269266 | 1.00 | ALDH1A1 (0.51) | ALDH1A1AKR1C3HPGDHRH3HRH1 | |
| SCHEMBL2343208 | 0.95 | AKR1C3 (0.49) | ALDH1A1AKR1C3HPGDHRH3HRH1 | |
| SCHEMBL12279805 | 0.93 | AKR1C3 (0.50) | ALDH1A1AKR1C3HPGDHRH3HRH1 | |
| SCHEMBL22575120 | 0.87 | ALDH1A1 (0.50) | ALDH1A1AKR1C3HPGDGAA | |
| SCHEMBL23832364 | 0.81 | ALDH1A1 (0.50) | ALDH1A1AKR1C3HPGDHRH3HRH1 | |
| SCHEMBL1727049 | 0.81 | AKR1C3 (0.52) | ALDH1A1AKR1C3HPGDHRH3KMT2A | |
| SCHEMBL30731050 | 0.81 | ALDH1A1 (0.50) | ALDH1A1AKR1C3HPGDHRH3HRH1 | |
| SCHEMBL30088471 | 0.81 | ALDH1A1 (0.50) | ALDH1A1AKR1C3HPGDHRH3HRH1 | |
| SCHEMBL3605010 | 0.81 | ALDH1A1 (0.50) | ALDH1A1AKR1C3HPGDHRH3HRH1 | |
| SCHEMBL29640749 | 0.81 | ALDH1A1 (0.50) | ALDH1A1AKR1C3HPGDHRH3HRH1 |
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-118434744-A | Nitrogen-containing macrocyclic compound, and preparation method and medical application thereof | 中国医药研究开发中心有限公司 | 2024-08-02 | — | — | CN | disclosed |