Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLNR | O43193 | 12/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | GHSR | Q92847 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4185918 | 0.88 | MLNR (0.77) | MLNRCYP3A4TRPV1CYP2D6GHSR | |
| SCHEMBL1704816 | 0.88 | MLNR (0.74) | MLNRCYP3A4ALDH1A1NPC1MAPT | |
| SCHEMBL4597349 | 0.85 | MLNR (0.70) | MLNRCYP3A4ALDH1A1NPC1MAPT | |
| SCHEMBL1703823 | 0.85 | MLNR (0.70) | MLNRCYP3A4ALDH1A1NPC1MAPT | |
| SCHEMBL1704135 | 0.83 | MLNR (1.00) | MLNRCYP3A4CYP2D6GHSR | |
| SCHEMBL4596914 | 0.81 | MLNR (0.71) | MLNRCYP3A4TRPV1CYP2D6GHSR | |
| SCHEMBL5125893 | 0.79 | MLNR (0.74) | MLNRCYP3A4CYP2D6GHSR | |
| SCHEMBL4597013 | 0.77 | MLNR (0.79) | MLNRCYP3A4CYP2D6GHSR | |
| SCHEMBL4175700 | 0.77 | MLNR (0.79) | MLNRCYP3A4CYP2D6GHSR | |
| SCHEMBL4597664 | 0.77 | MLNR (0.82) | MLNRCYP3A4CYP2D6GHSR |
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 |