Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC5A1 | P13866 | 6/20 | 0.47 |
| ▸ | SLC5A2 | P31639 | 6/20 | 0.47 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | KLK7 | P49862 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5822476 | 0.90 | KLK7 (0.46) | SLC5A1SLC5A2HTR6ALDH1A1MAPT | |
| SCHEMBL5441783 | 0.84 | HTR6 (0.41) | SLC5A1SLC5A2HTR6ALDH1A1MAPT | |
| SCHEMBL5432493 | 0.82 | SLC5A1 (0.42) | SLC5A1SLC5A2HTR6ALDH1A1MAPT | |
| SCHEMBL5801261 | 0.81 | HTR6 (0.42) | SLC5A1SLC5A2HTR6ALDH1A1MAPT | |
| SCHEMBL5240385 | 0.77 | SLC5A1 (0.52) | SLC5A1SLC5A2HTR6ALDH1A1MAPT | |
| SCHEMBL5438268 | 0.76 | CRHR1 (0.35) | SLC5A1SLC5A2HTR6ALDH1A1MAPT | |
| SCHEMBL4862016 | 0.72 | SLC5A1 (0.49) | SLC5A1SLC5A2HTR6ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL6134453 | 0.70 | MAPT (0.53) | SLC5A1SLC5A2HTR6ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL6133263 | 0.69 | HTR6 (0.49) | SLC5A1SLC5A2HTR6ALDH1A1MAPT | |
| SCHEMBL5434125 | 0.66 | SLC5A1 (0.40) | SLC5A1SLC5A2HTR6MAPTKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1654253-A1 | SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES | Grünenthal GmbH (DE) | 2006-05-10 | — | — | EP | disclosed |
| WO-2005019208-A1 | SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES | Grünenthal GmbH (DE) | 2005-03-03 | — | — | WO | disclosed |