Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 4/20 | 0.46 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.46 |
| ▸ | MET | P08581 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.41 |
| ▸ | CLPP | Q16740 | 2/20 | 0.40 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.39 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8003114 | 0.95 | HCRTR1 (0.46) | HCRTR1HCRTR2METKCNH2CYP2D6 | |
| SCHEMBL7996074 | 0.94 | HCRTR1 (0.46) | HCRTR1HCRTR2METKCNH2CYP2D6 | |
| SCHEMBL7996342 | 0.93 | HCRTR1 (0.47) | HCRTR1HCRTR2METKCNH2CYP2D6 | |
| SCHEMBL7997813 | 0.91 | HCRTR1 (0.44) | HCRTR1HCRTR2METKCNH2CYP2D6 | |
| SCHEMBL7996086 | 0.89 | LMNA (0.47) | HCRTR1HCRTR2KCNH2CYP2D6ALDH1A1 | |
| SCHEMBL8003297 | 0.89 | SLC2A1 (0.41) | HCRTR1HCRTR2METKCNH2CYP2D6 | |
| SCHEMBL7997762 | 0.86 | TSHR (0.55) | HCRTR1HCRTR2KCNH2CYP2D6ALDH1A1 | |
| SCHEMBL7999778 | 0.85 | SLC2A1 (0.43) | HCRTR1HCRTR2METKCNH2CYP2D6 | |
| SCHEMBL7999728 | 0.84 | PLA2G2A (0.42) | HCRTR1HCRTR2METKCNH2CYP2D6 | |
| SCHEMBL7999722 | 0.82 | ALDH1A1 (0.45) | HCRTR1HCRTR2KCNH2CYP2D6ALDH1A1 |
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-2000008005-A2 | PIPERAZINONE DERIVATIVES | MERCK PATENT GMBH (DE) | 2000-02-17 | — | — | WO | disclosed |