Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.33 |
| ▸ | SMO | Q99835 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL26961853 | 0.93 | PDE4B (0.38) | KCNH2MCHR1MAPTPDE4BSMO | |
| SCHEMBL26961999 | 0.89 | KCNH2 (0.36) | KCNH2MCHR1MAPTPDE4BSMO | |
| SCHEMBL26961854 | 0.89 | LMNA (0.33) | MAPT | |
| SCHEMBL26963017 | 0.88 | HDAC6 (0.36) | KCNH2MCHR1MAPTHRH3 | |
| SCHEMBL26961685 | 0.82 | MCHR1 (0.38) | KCNH2MCHR1PDE4BSMN1; SMN2 | |
| SCHEMBL26962312 | 0.81 | PDE4B (0.39) | KCNH2MCHR1MAPTPDE4BSMO | |
| SCHEMBL26961440 | 0.81 | HRH3 (0.38) | MAPTSMOPOLBMAPK1MEN1 | |
| SCHEMBL26961764 | 0.80 | NPY1R (0.33) | KCNH2MCHR1MAPT | |
| SCHEMBL26962162 | 0.79 | KIT (0.34) | HRH3S1PR1 | |
| SCHEMBL26961800 | 0.78 | HDAC6 (0.38) | MAPTPOLBS1PR1 |
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-4291558-A1 | BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER | F. Hoffmann-La Roche AG (CH) | 2023-12-20 | — | — | EP | disclosed |