Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | PTPN12 | Q05209 | 1/20 | 0.48 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | PDE5A | O76074 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7678118 | 0.95 | GAA (0.44) | GAAPTPN12PTPN22SMN1; SMN2HTT | |
| SCHEMBL7674654 | 0.91 | PTPN12 (0.47) | GAAPTPN12PTPN22SMN1; SMN2HTT | |
| SCHEMBL6212763 | 0.90 | GAA (0.49) | GAAPTPN12PTPN22SMN1; SMN2HTT | |
| Bicarbonate SCHEMBL6214333 | 0.89 | HTT (0.53) | GAAPTPN12PTPN22SMN1; SMN2HTT | |
| SCHEMBL7674199 | 0.87 | PDE10A (0.39) | GAAPTPN12PTPN22ALDH1A1DGAT1 | |
| SCHEMBL6858238 | 0.87 | PDE5A (0.41) | ALDH1A1DGAT1PDE5APDE4APDE4B | |
| SCHEMBL6764817 | 0.86 | PTPN12 (0.48) | GAAPTPN12PTPN22SMN1; SMN2HTT | |
| SCHEMBL6764845 | 0.86 | PTPN12 (0.45) | GAAPTPN12PTPN22SMN1; SMN2HTT | |
| SCHEMBL6852827 | 0.85 | HSD17B10 (0.39) | GAAPTPN12PTPN22ALDH1A1DGAT1 | |
| SCHEMBL6761170 | 0.85 | GAA (0.43) | GAAPTPN12PTPN22SMN1; SMN2HTT |
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 |