Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 1/20 | 0.45 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.45 |
| ▸ | BTK | Q06187 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 2/20 | 0.36 |
| ▸ | KDM1A | O60341 | 2/20 | 0.36 |
| ▸ | SSTR4 | P31391 | 5/20 | 0.36 |
| ▸ | SSTR1 | P30872 | 3/20 | 0.36 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL13315213 | 1.00 | HTR3A (0.45) | HTR3AHTR4BTKGAAEPHX2 | |
| SCHEMBL22233663 | 1.00 | HTR3A (0.45) | HTR3AHTR4BTKGAAEPHX2 | |
| SCHEMBL16095456 | 1.00 | HTR3A (0.45) | HTR3AHTR4BTKGAAEPHX2 | |
| SCHEMBL13352069 | 1.00 | HTR3A (0.45) | HTR3AHTR4BTKGAAEPHX2 | |
| SCHEMBL735643 | 1.00 | HTR3A (0.45) | HTR3AHTR4BTKGAAEPHX2 | |
| SCHEMBL19918949 | 1.00 | HTR3A (0.45) | HTR3AHTR4BTKGAAEPHX2 | |
| SCHEMBL12135068 | 1.00 | HTR3A (0.45) | HTR3AHTR4BTKGAAEPHX2 | |
| Oxalic Acid SCHEMBL30381775 | 0.96 | HTR3A (0.42) | HTR3AHTR4BTKGAAEPHX2 | |
| Oxalic Acid SCHEMBL31213543 | 0.96 | HTR3A (0.42) | HTR3AHTR4BTKGAAEPHX2 | |
| SCHEMBL25145140 | 0.88 | BTK (0.38) | HTR3AHTR4BTKGAAEPHX2 |
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-8138204-B2 | Emesis, dyspepsia, gastroparesis, constipation, gastroesophageal reflux, or post-operative ileus; cisapride analogs; side effect reduction of adverse events; (R)-quinuclidin-3-yl 6-((3S,4R)-4-(4-amino-5-chloro-2-methoxybenzamido)-3-methoxypiperidin-1-yl)hexanoate or salts | ARYX THERAPEUTICS, INC. (US) | 2012-03-20 | — | — | US | disclosed |