Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 3/20 | 0.37 |
| ▸ | HRH2 | P25021 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | KIT | P10721 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | PIK3R1 | P27986 | 3/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24698078 | 0.84 | GBA1 (0.47) | GBA1HRH2HRH3PIK3CACHEK1 | |
| SCHEMBL24698066 | 0.84 | GBA1 (0.44) | GBA1HRH2HRH3PIK3CACHEK1 | |
| SCHEMBL30015858 | 0.83 | AKT1 (0.35) | GBA1HRH2HRH3PIK3CAALDH1A1 | |
| SCHEMBL24698533 | 0.82 | GBA1 (0.46) | GBA1PIK3CAALDH1A1KDM4EGAA | |
| SCHEMBL24698936 | 0.80 | KHK (0.35) | HRH2HRH3ALDH1A1MTORKDM4E | |
| SCHEMBL24699076 | 0.80 | KDM4E (0.50) | PIK3CAALDH1A1PIK3R1MTORKDM4E | |
| SCHEMBL24699073 | 0.79 | PIK3CA (0.34) | GBA1HRH2HRH3PIK3CACHEK1 | |
| SCHEMBL24698868 | 0.78 | PDE2A (0.38) | GBA1HRH2HRH3PIK3CACHEK1 | |
| SCHEMBL30016586 | 0.78 | AKT1 (0.34) | GBA1HRH2HRH3PIK3CACHEK1 | |
| SCHEMBL24699410 | 0.78 | ALDH1A1 (0.38) | GBA1PIK3CACHEK1ALDH1A1KDM1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-4313967-A1 | KHK INHIBITORS | GILEAD SCIENCES, INC. (US) | 2024-02-07 | — | — | EP | disclosed |
| WO-2022212194-A1 | KHK INHIBITORS | GILEAD SCIENCES, INC. (US) | 2022-10-06 | — | — | WO | disclosed |
| WO-2022212194-A1 | KHK INHIBITORS | GILEAD SCIENCES, INC. (US) | 2022-10-06 | — | — | WO | disclosed |