Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLNR | O43193 | 17/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1704155 | 1.00 | MLNR (0.60) | MLNRCYP3A4CYP2D6KCNH2ALDH1A1 | |
| SCHEMBL1704167 | 0.87 | MLNR (0.61) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL1704594 | 0.83 | MLNR (0.42) | MLNRCYP3A4CYP2D6KCNH2ALDH1A1 | |
| SCHEMBL1705081 | 0.79 | MLNR (0.64) | MLNRCYP3A4CYP2D6KCNH2KMT2A | |
| SCHEMBL4187464 | 0.79 | MLNR (0.73) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL4175748 | 0.79 | MLNR (0.73) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL1704373 | 0.78 | MLNR (0.80) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL1704527 | 0.77 | MLNR (0.65) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL1704154 | 0.77 | MLNR (0.65) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL1704145 | 0.77 | MLNR (0.65) | MLNRCYP3A4CYP2D6KCNH2ALDH1A1 |
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 |