Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 5/20 | 0.45 |
| ▸ | HCRTR1 | O43613 | 4/20 | 0.45 |
| ▸ | CYP46A1 | Q9Y6A2 | 2/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | HPGDS | O60760 | 1/20 | 0.34 |
| ▸ | ALKBH2 | Q6NS38 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3388560 | 1.00 | HCRTR2 (0.45) | HCRTR2HCRTR1CYP46A1TDO2KDM4E | |
| SCHEMBL20774394 | 0.77 | HCRTR1 (0.44) | HCRTR2HCRTR1KDM4EMEN1ABCC4 | |
| SCHEMBL3390423 | 0.76 | CYP1A2 (0.43) | HCRTR2HCRTR1KDM4EMAPTL3MBTL1 | |
| SCHEMBL31175312 | 0.76 | CYP1A2 (0.43) | HCRTR2HCRTR1KDM4EMAPTL3MBTL1 | |
| SCHEMBL262384 | 0.76 | HCRTR2 (0.45) | HCRTR2HCRTR1KDM4EMAPTMEN1 | |
| SCHEMBL31175345 | 0.76 | HCRTR2 (0.45) | HCRTR2HCRTR1KDM4EMAPTMEN1 | |
| SCHEMBL2497920 | 0.75 | RAB9A (0.49) | HCRTR2HCRTR1CYP46A1TDO2KDM4E | |
| SCHEMBL261755 | 0.74 | HCRTR2 (0.52) | HCRTR2HCRTR1 | |
| SCHEMBL29912154 | 0.74 | HCRTR2 (0.52) | HCRTR2HCRTR1 | |
| SCHEMBL609150 | 0.74 | HCRTR2 (0.44) | HCRTR2HCRTR1KDM4EMEN1PKM |
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-111315734-B | Substituted 2-azabicyclo [3.1.1] heptane and 2-azabicyclo [3.2.1] octane derivatives as orexin receptor antagonists | 克罗诺斯治疗有限公司 | 2024-03-08 | — | — | CN | disclosed |