Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 9/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 9/20 | 0.39 |
| ▸ | GBA1 | P04062 | 8/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22383524 | 0.90 | GBA1 (0.33) | HCRTR1HCRTR2GBA1PDE2A | |
| SCHEMBL19894142 | 0.74 | HCRTR2 (0.62) | HCRTR1HCRTR2 | |
| SCHEMBL19893980 | 0.74 | GBA1 (0.60) | GBA1 | |
| Hydrochloric Acid SCHEMBL19894103 | 0.74 | HCRTR2 (0.61) | HCRTR1HCRTR2 | |
| SCHEMBL23018165 | 0.73 | PARP1 (0.36) | — | |
| SCHEMBL19894159 | 0.71 | HCRTR1 (0.59) | HCRTR1HCRTR2GBA1MAPT | |
| SCHEMBL19894151 | 0.70 | GBA1 (0.59) | GBA1 | |
| SCHEMBL20976771 | 0.70 | CHRNA4 (0.45) | HCRTR1HCRTR2 | |
| SCHEMBL23018164 | 0.70 | PTGES (0.52) | HCRTR1HCRTR2 | |
| SCHEMBL19893972 | 0.70 | GBA1 (0.56) | GBA1PDE2A |
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-3287454-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2018-02-28 | — | — | EP | disclosed |