Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 3/20 | 0.34 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | AMY1A | P0DUB6 | 4/20 | 0.33 |
| ▸ | BRD4 | O60885 | 2/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.31 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.31 |
| ▸ | CCND1 | P24385 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | CCND3 | P30281 | 1/20 | 0.31 |
| ▸ | PDE2A | O00408 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10578739 | 0.93 | AMY1A (0.36) | NR1I2PDE5APDE3BPDE3AAMY1A | |
| SCHEMBL10577387 | 0.87 | CDK4 (0.39) | NR1I2PDE5APDE3BPDE3AAMY1A | |
| SCHEMBL10575604 | 0.87 | PDE5A (0.34) | PDE5APDE3BPDE3AAMY1APDE2A | |
| SCHEMBL10575332 | 0.84 | NPC1 (0.36) | NR1I2PDE5APDE3BPDE3AAMY1A | |
| SCHEMBL10765920 | 0.80 | AMY1A (0.39) | PDE5APDE3BPDE3AAMY1APDE2A | |
| SCHEMBL10577395 | 0.80 | CDK4 (0.45) | AMY1ACDK4CCNA2CCND1CDK2 | |
| SCHEMBL10575621 | 0.80 | AMY1A (0.36) | PDE5APDE3BPDE3AAMY1A | |
| SCHEMBL10578096 | 0.80 | AMY1A (0.37) | PDE5APDE3BPDE3AAMY1APDE2A | |
| SCHEMBL10575328 | 0.78 | AMY1A (0.41) | NR1I2AMY1ABRD4 | |
| SCHEMBL10575337 | 0.77 | AMY1A (0.37) | PDE5APDE3BPDE3AAMY1ACDK4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4882342-A | CARDIOVASCULAR DISORDERS | BOEHRINGER MANNHEIM GMBH (DE) | 1989-11-21 | — | — | US | disclosed |
| EP-0266558-A2 | 5-Alkylbenzimidazoles, process for their preparation and medicaments containing them | Roche Diagnostics GmbH (DE) | 1988-05-11 | — | — | EP | disclosed |