Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | PPARG | P37231 | 1/20 | 0.48 |
| ▸ | PPARD | Q03181 | 1/20 | 0.48 |
| ▸ | PPARA | Q07869 | 1/20 | 0.48 |
| ▸ | PDE5A | O76074 | 3/20 | 0.46 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.46 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | AR | P10275 | 1/20 | 0.45 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9634369 | 0.86 | PDE5A (0.49) | ALDH1A1PPARGPPARDPPARAPDE5A | |
| SCHEMBL10741401 | 0.85 | PDE5A (0.49) | ALDH1A1PDE5APDE3BPDE3ALMNA | |
| SCHEMBL10733296 | 0.82 | PDE2A (0.46) | ALDH1A1PDE5APDE3BPDE3ACYP3A4 | |
| SCHEMBL10742503 | 0.81 | PDE5A (0.46) | ALDH1A1PDE5APDE3BPDE3ALMNA | |
| SCHEMBL10739587 | 0.81 | PDE5A (0.43) | ALDH1A1PDE5APDE3BPDE3ALMNA | |
| SCHEMBL10736431 | 0.79 | PDE5A (0.42) | ALDH1A1PDE5APDE3BPDE3ALMNA | |
| SCHEMBL10734755 | 0.79 | PDE2A (0.57) | ALDH1A1PDE5APDE3BPDE3ACYP3A4 | |
| SCHEMBL10670451 | 0.78 | AMY1A (0.56) | PDE5APDE3BPDE3AAMY1A | |
| Hydrochloric Acid SCHEMBL10676848 | 0.78 | PDE5A (0.51) | ALDH1A1PDE5APDE3BPDE3AALOX5 | |
| SCHEMBL10675183 | 0.78 | PDE5A (0.51) | ALDH1A1PDE5APDE3BPDE3ALMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4654344-A | ALSO AFFECT BLOOD PRESSURE AND MYOCARDIAL CONTRACTIONS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1987-03-31 | — | — | US | disclosed |
| EP-0093951-B1 | 2-ARYL-TETRAAZAINDENES | MERCK PATENT GmbH (DE) | 1986-10-29 | — | — | EP | disclosed |
| US-4575505-A | Pharmaceutical compositions containing 2-aryltetraazaindenes for treating ulcers or cardiac insufficiency or blood pressure abnormalities | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1986-03-11 | — | — | US | disclosed |
| US-4477454-A | INDOTROPIC AGENTS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1984-10-16 | — | — | US | disclosed |