Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AMY1A | P0DUB6 | 2/20 | 0.38 |
| ▸ | CDK4 | P11802 | 3/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.35 |
| ▸ | CCND1 | P24385 | 3/20 | 0.35 |
| ▸ | CDK2 | P24941 | 3/20 | 0.35 |
| ▸ | CCND3 | P30281 | 3/20 | 0.35 |
| ▸ | GUSB | P08236 | 1/20 | 0.34 |
| ▸ | PDE5A | O76074 | 4/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | TOP1 | P11387 | 1/20 | 0.34 |
| ▸ | TOP2A | P11388 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | CBFB | Q13951 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.33 |
| ▸ | KDR | P35968 | 2/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | TYK2 | P29597 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10734673 | 0.88 | AMY1A (0.38) | AMY1ACDK4CCNA2CCND1CDK2 | |
| SCHEMBL10739175 | 0.87 | TOP1 (0.41) | PDE5APDE3BPDE3ATOP1TOP2A | |
| SCHEMBL9634554 | 0.86 | CDK4 (0.40) | AMY1ACDK4CCNA2CCND1CDK2 | |
| SCHEMBL10735063 | 0.85 | CYP1A1 (0.39) | AMY1ATOP1TOP2AMAOBMGAM | |
| SCHEMBL10739019 | 0.84 | PDE2A (0.46) | AMY1APDE5APDE3BPDE3ATOP1 | |
| SCHEMBL10739751 | 0.83 | PDE5A (0.35) | AMY1APDE5APDE3BPDE3ATOP1 | |
| SCHEMBL10740722 | 0.83 | SMN1; SMN2 (0.42) | PDE5APDE3BPDE3ATOP1TOP2A | |
| SCHEMBL10736882 | 0.83 | MAOB (0.48) | GUSBPDE5AMAOBCYP1A1CYP1A2 | |
| SCHEMBL10735482 | 0.82 | TOP1 (0.38) | PDE5APDE3BPDE3ATOP1TOP2A | |
| SCHEMBL10739803 | 0.82 | TOP1 (0.38) | PDE5APDE3BPDE3ATOP1TOP2A |
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 5 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 |
| EP-0093951-A2 | 2-Aryl-tetraazaindenes | MERCK PATENT GmbH (DE) | 1983-11-16 | — | — | EP | disclosed |