Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 3/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 2/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.30 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4592672 | 1.00 | L3MBTL1 (0.36) | L3MBTL1MAPTALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL21211664 | 0.85 | GAA (0.39) | ALDH1A1KDM4ELMNAGAAACHE | |
| SCHEMBL22562822 | 0.82 | CYP1A2 (0.34) | CYP1A2HCAR3ACHEPDE4AADORA2A | |
| SCHEMBL29445748 | 0.79 | NR1H2 (0.32) | NR1H2 | |
| SCHEMBL30269815 | 0.79 | NR1H2 (0.32) | NR1H2 | |
| SCHEMBL22643976 | 0.74 | GRIA1 (0.40) | L3MBTL1MAPTALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL30269819 | 0.73 | NR1H2 (0.31) | NR1H2 | |
| SCHEMBL21943143 | 0.68 | ALDH1A1 (0.58) | MAPTALDH1A1SMN1; SMN2LMNAHTT | |
| SCHEMBL30291852 | 0.68 | MMP9 (0.33) | L3MBTL1ALDH1A1HTTMEN1CYP1A2 | |
| SCHEMBL13349255 | 0.67 | MEN1 (0.33) | L3MBTL1MAPTALDH1A1SMN1; SMN2KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117903121-A | Synthesis method of itraconazole active ester | 上海现代哈森（商丘）药业有限公司 | 2024-04-19 | — | — | CN | disclosed |
| EP-1673368-A1 | AZOLE DERIVATIVE USEFUL AS ANTIFUNGAL AGENTS WITH REDUCED INTERACTION WITH METABOLIC CYTOCHROMES | ITALFARMACO S.p.A. (IT) | 2006-06-28 | — | — | EP | disclosed |
| WO-2005040156-A1 | AZOLE DERIVATIVE USEFUL AS ANTIFUNGAL AGENTS WITH REDUCED INTERACTION WITH METABOLIC CYTOCHROMES | ITALFARMACO S.P.A. (IT) | 2005-05-06 | — | — | WO | disclosed |