Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 2/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.39 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 7/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ULK1 | O75385 | 1/20 | 0.35 |
| ▸ | GPR39 | O43194 | 1/20 | 0.34 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.34 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22877139 | 0.83 | HCAR3 (0.45) | HCAR3PDGFRBPDGFRAKDM4EALDH1A1 | |
| SCHEMBL17031679 | 0.83 | HCRTR1 (0.49) | HCAR3HCRTR1PTGS2ULK1 | |
| SCHEMBL17031587 | 0.73 | HCAR3 (0.44) | HCAR3PDGFRBPDGFRAKDM4EALDH1A1 | |
| SCHEMBL22877015 | 0.72 | KDM4E (0.50) | HCAR3PDGFRBPDGFRAKDM4EALDH1A1 | |
| SCHEMBL26703970 | 0.71 | HCRTR1 (0.39) | HCRTR1 | |
| SCHEMBL26703973 | 0.71 | HCRTR1 (0.39) | HCRTR1 | |
| SCHEMBL20145078 | 0.70 | IL1B (0.46) | — | |
| SCHEMBL20145188 | 0.69 | IL1B (0.43) | HCRTR1 | |
| SCHEMBL20145184 | 0.68 | IL1B (0.42) | — | |
| SCHEMBL18607516 | 0.67 | HCAR3 (0.47) | HCAR3PDGFRBPDGFRAKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3107898-B1 | 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS | TAKEDA PHARMACEUTICALS CO (JP) | 2021-01-06 | — | — | EP | disclosed |