Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 5/20 | 0.37 |
| ▸ | PDE5A | O76074 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SSTR3 | P32745 | 2/20 | 0.35 |
| ▸ | USP1 | O94782 | 1/20 | 0.35 |
| ▸ | WDR48 | Q8TAF3 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | PTPN12 | Q05209 | 1/20 | 0.34 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 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 | |
|---|---|---|---|---|
| SCHEMBL6852827 | 0.94 | HSD17B10 (0.39) | PDE10ADGAT1PDE5APDE4BPDE4D | |
| SCHEMBL6858279 | 0.91 | PDE5A (0.42) | PDE5A | |
| SCHEMBL6764615 | 0.90 | PDE10A (0.40) | PDE10APDE5AAURKARPS6KB1PDE4B | |
| SCHEMBL7680595 | 0.89 | PDE5A (0.36) | PDE10ADGAT1PDE5AALDH1A1 | |
| Bicarbonate SCHEMBL6219647 | 0.89 | PDE5A (0.47) | PDE10APDE5AAURKARPS6KB1ALDH1A1 | |
| SCHEMBL7675129 | 0.89 | MEN1 (0.39) | PDE10ADGAT1PDE5AALDH1A1GAA | |
| SCHEMBL7678118 | 0.89 | GAA (0.44) | DGAT1PDE5AALDH1A1GAAPTPN12 | |
| SCHEMBL6858238 | 0.88 | PDE5A (0.41) | PDE10ADGAT1PDE5APDE4BPDE4D | |
| SCHEMBL7674732 | 0.87 | GAA (0.49) | DGAT1PDE5AAURKARPS6KB1PDE4B | |
| SCHEMBL6767355 | 0.85 | PDE5A (0.36) | PDE10APDE5AAURKARPS6KB1ALDH1A1 |
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-6495557-B1 | SUCH AS 3-(4-(3-CHLORO-4-METHOXYBENZYLAMINO)BENZO-(4,5)-THIENO (2,3-D)PYRIMIDIN-2-YL)PROPIONIC ACID; CARDIOVASCULAR DISORDERS AND/OR IMPAIRED POTENCY | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 2002-12-17 | — | — | US | disclosed |