Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | PDE9A | O76083 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.35 |
| ▸ | PDE1A | P54750 | 1/20 | 0.35 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.35 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.35 |
| ▸ | PDE5A | O76074 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20606051 | 0.81 | ALDH1A1 (0.49) | CHEK1ALDH1A1KDM4EHPGDCYP3A4 | |
| SCHEMBL28822756 | 0.79 | KDM4E (0.41) | CHEK1ALDH1A1KDM4EHPGDCYP3A4 | |
| SCHEMBL29856927 | 0.76 | ALDH1A1 (0.34) | ALDH1A1HPGDCYP3A4MAP4K1KEAP1 | |
| SCHEMBL14376019 | 0.74 | CYP3A4 (0.57) | ALDH1A1KDM4ECYP3A4PAX8PDE3B | |
| SCHEMBL29465035 | 0.71 | JAK2 (0.35) | ALDH1A1PDE9ARECQLKEAP1 | |
| SCHEMBL22032380 | 0.71 | SMN1; SMN2 (0.58) | ALDH1A1KDM4EHPGDMAPK1KEAP1 | |
| SCHEMBL9793706 | 0.70 | KDM4E (0.49) | ALDH1A1KDM4ECYP3A4PAX8MAP4K1 | |
| Hydrochloric Acid SCHEMBL28822255 | 0.70 | SMN1; SMN2 (0.57) | ALDH1A1KDM4EHPGDMAPK1KEAP1 | |
| SCHEMBL1004370 | 0.69 | PLAU (0.57) | ALDH1A1KDM4EHPGDCYP3A4MAPT | |
| SCHEMBL11653015 | 0.69 | NPC1 (0.60) | ALDH1A1HPGDCYP3A4PDE4APDE4B |
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-109790146-B | Pharmaceutical compounds | 阿尔麦克探索有限公司 | 2022-08-23 | — | — | CN | disclosed |