Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH2 | P25021 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | USP2 | O75604 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.32 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 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 | |
|---|---|---|---|---|
| SCHEMBL24698458 | 0.88 | HRH2 (0.36) | HRH2HRH3KDM4EALDH1A1USP2 | |
| SCHEMBL24698106 | 0.85 | HRH2 (0.39) | HRH2HRH3KDM4EL3MBTL1ALDH1A1 | |
| SCHEMBL24699432 | 0.83 | HRH2 (0.38) | HRH2HRH3KDM4EMAPTTP53 | |
| SCHEMBL24698868 | 0.82 | PDE2A (0.38) | HRH2HRH3KDM4EALDH1A1PDK1 | |
| SCHEMBL24698426 | 0.81 | KARS1 (0.40) | HRH2HRH3KDM4EALDH1A1PDK1 | |
| SCHEMBL24698181 | 0.80 | GBA1 (0.38) | HRH2HRH3KDM4EMAPTTP53 | |
| SCHEMBL24697711 | 0.79 | KHK (0.43) | HRH2HRH3KDM4EMAPTTP53 | |
| SCHEMBL24697726 | 0.78 | HRH2 (0.34) | HRH2HRH3KDM4EMAPTALDH1A1 | |
| SCHEMBL24698627 | 0.77 | KHK (0.44) | — | |
| SCHEMBL24699404 | 0.77 | NISCH (0.35) | HRH2HRH3KDM4EMAPTTP53 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022212194-A1 | KHK INHIBITORS | GILEAD SCIENCES, INC. (US) | 2022-10-06 | — | — | WO | disclosed |