Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 4/20 | 0.47 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.47 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.47 |
| ▸ | AMY1A | P0DUB6 | 10/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | PDE2A | O00408 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10678386 | 0.86 | PDE5A (0.49) | PDE5APDE3BPDE3AAMY1AKDM4E | |
| SCHEMBL10914453 | 0.86 | PDE5A (0.43) | PDE5APDE3BPDE3AAMY1AKDM4E | |
| SCHEMBL10742496 | 0.86 | PDE5A (0.43) | PDE5APDE3BPDE3AAMY1AKDM4E | |
| SCHEMBL10739587 | 0.86 | PDE5A (0.43) | PDE5APDE3BPDE3AAMY1AKDM4E | |
| SCHEMBL7272787 | 0.86 | PDE5A (0.50) | PDE5APDE3BPDE3AAMY1AKDM4E | |
| Hydrochloric Acid SCHEMBL10743647 | 0.85 | PDE5A (0.48) | PDE5APDE3BPDE3AAMY1AKDM4E | |
| Hydrochloric Acid SCHEMBL7270687 | 0.85 | PDE5A (0.50) | PDE5APDE3BPDE3AAMY1AKDM4E | |
| SCHEMBL10741401 | 0.81 | PDE5A (0.49) | PDE5APDE3BPDE3AAMY1AKDM4E | |
| SCHEMBL10670451 | 0.81 | AMY1A (0.56) | PDE5APDE3BPDE3AAMY1A | |
| SCHEMBL10734755 | 0.80 | PDE2A (0.57) | PDE5APDE3BPDE3AAMY1AKDM4E |
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 |