Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLNR | O43193 | 15/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | GHSR | Q92847 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL3920664 | 0.90 | MLNR (0.51) | MLNRCYP3A4CYP2D6KCNH2CYP1A2 | |
| SCHEMBL3913651 | 0.88 | MLNR (0.44) | MLNRCYP3A4CYP2D6KCNH2CYP1A2 | |
| SCHEMBL377552 | 0.82 | MLNR (0.62) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL4217490 | 0.81 | MLNR (0.45) | MLNRCYP3A4CYP2D6KCNH2CYP1A2 | |
| SCHEMBL376912 | 0.80 | MLNR (0.44) | MLNRCYP3A4CYP2D6KCNH2CYP1A2 | |
| SCHEMBL3984859 | 0.78 | MLNR (0.42) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL376913 | 0.76 | MLNR (0.40) | MLNRCYP3A4CYP2D6KCNH2CYP1A2 | |
| SCHEMBL4596941 | 0.76 | MLNR (0.69) | MLNRCYP3A4CYP2D6KCNH2CYP1A2 | |
| SCHEMBL3920606 | 0.73 | HIF1A (0.35) | — | |
| SCHEMBL377832 | 0.71 | MLNR (0.76) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2029538-A1 | BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS | Glaxo Group Limited (GB) | 2009-03-04 | — | — | EP | disclosed |
| WO-2007144400-A1 | BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2007-12-21 | — | — | WO | disclosed |