Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLNR | O43193 | 17/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | GHSR | Q92847 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | CCR5 | P51681 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL377495 | 0.89 | MLNR (0.54) | MLNRCYP3A4CYP2D6GHSRKCNH2 | |
| SCHEMBL460944 | 0.81 | ALDH1A1 (0.55) | MLNRCYP3A4 | |
| SCHEMBL377711 | 0.81 | MLNR (0.74) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL378028 | 0.81 | MLNR (0.60) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL4210797 | 0.80 | MLNR (0.55) | MLNRCYP3A4CYP2D6GHSRKCNH2 | |
| SCHEMBL378267 | 0.80 | MLNR (0.55) | MLNRCYP3A4CYP2D6GHSRKCNH2 | |
| SCHEMBL1312338 | 0.79 | MLNR (0.47) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL1313152 | 0.78 | MLNR (0.56) | MLNRCYP3A4FAAHCCR5 | |
| SCHEMBL377818 | 0.78 | MLNR (0.46) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL15152914 | 0.77 | MLNR (0.56) | MLNRCYP3A4CCR5 |
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-2029538-B1 | BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS | GLAXO GROUP LTD (GB) | 2012-01-25 | — | — | EP | disclosed |