Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.36 |
| ▸ | MTOR | P42345 | 5/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | ADK | P55263 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | HRH2 | P25021 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL24699404 | 0.84 | NISCH (0.35) | NISCHMTORKDM4EALDH1A1ADK | |
| SCHEMBL24698946 | 0.83 | MTOR (0.42) | NISCHMTORKDM4EALDH1A1ADK | |
| SCHEMBL24698948 | 0.79 | NISCH (0.38) | NISCHMTORKDM4EALDH1A1ADK | |
| SCHEMBL24698425 | 0.79 | MEN1 (0.37) | KDM4EHRH3HRH2 | |
| SCHEMBL24698179 | 0.79 | WNT3A (0.36) | HRH3HRH2 | |
| SCHEMBL24699434 | 0.79 | HRH2 (0.39) | ALDH1A1HRH3HRH2 | |
| SCHEMBL24697597 | 0.78 | HRH2 (0.36) | MTORKDM4EALDH1A1HRH3HRH2 | |
| SCHEMBL24698865 | 0.78 | HRH2 (0.36) | MTORKDM4EALDH1A1HRH3HRH2 | |
| SCHEMBL24698116 | 0.77 | HRH3 (0.35) | ALDH1A1HRH3KCNH2HRH2 | |
| SCHEMBL24699039 | 0.77 | KHK (0.36) | HRH3HRH2 |
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 |