Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLNR | O43193 | 19/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | GHSR | Q92847 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1704165 | 0.92 | MLNR (0.67) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL1704143 | 0.91 | MLNR (0.71) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL4188248 | 0.90 | MLNR (0.75) | MLNRCYP3A4CYP2D6KCNH2CYP1A2 | |
| SCHEMBL1704149 | 0.82 | MLNR (1.00) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL377747 | 0.82 | MLNR (0.54) | MLNRCYP3A4CYP2D6KCNH2CYP1A2 | |
| SCHEMBL4185723 | 0.81 | MLNR (0.76) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL4175748 | 0.81 | MLNR (0.73) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL4187464 | 0.81 | MLNR (0.73) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL1704154 | 0.80 | MLNR (0.65) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL1704527 | 0.80 | MLNR (0.65) | MLNRCYP3A4CYP2D6KCNH2 |
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-2441763-A1 | Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders | Glaxo Group Limited (GB) | 2012-04-18 | — | — | EP | disclosed |