Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 10/20 | 0.39 |
| ▸ | GLB1 | P16278 | 1/20 | 0.34 |
| ▸ | PYGL | P06737 | 1/20 | 0.33 |
| ▸ | GUSB | P08236 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HRH2 | P25021 | 3/20 | 0.30 |
| ▸ | HRH1 | P35367 | 3/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13600556 | 1.00 | GBA1 (0.39) | GBA1GLB1PYGLGUSBMEN1 | |
| SCHEMBL14610195 | 1.00 | GBA1 (0.39) | GBA1GLB1PYGLGUSBMEN1 | |
| SCHEMBL13607569 | 1.00 | GBA1 (0.39) | GBA1GLB1PYGLGUSBMEN1 | |
| SCHEMBL13600560 | 0.85 | GBA1 (0.39) | GBA1MEN1KMT2AHRH2HRH1 | |
| SCHEMBL13607593 | 0.85 | GBA1 (0.39) | GBA1MEN1KMT2AHRH2HRH1 | |
| SCHEMBL4473375 | 0.85 | GLB1 (0.53) | GBA1GLB1GUSB | |
| SCHEMBL4473371 | 0.85 | GLB1 (0.53) | GBA1GLB1GUSB | |
| SCHEMBL13607587 | 0.85 | GLB1 (0.53) | GBA1GLB1GUSB | |
| SCHEMBL4473378 | 0.85 | GLB1 (0.53) | GBA1GLB1GUSB | |
| SCHEMBL3713854 | 0.82 | GBA1 (0.42) | GBA1GLB1GUSBHRH2HRH1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7638535-B2 | (3S)-trans)-8-methyl-3,4-dihydro-2H-benzo[b][1,4]dioxepine-6-carboxylic acid [3-hydroxy-1-(3-methoxy-propyl)-piperidin-4-ylmethyl]-amide; hypermotility, irritable bowel syndrome, constipation or diarrhea predominant IDS, pain and non-pain predominant IBS and bowel hypersensitivity | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-12-29 | — | — | US | disclosed |