Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 6/20 | 0.51 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.51 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | CDK9 | P50750 | 2/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.39 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.39 |
| ▸ | PDE2A | O00408 | 1/20 | 0.38 |
| ▸ | CDK4 | P11802 | 1/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.38 |
| ▸ | CCND1 | P24385 | 1/20 | 0.38 |
| ▸ | CCND3 | P30281 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9634654 | 0.85 | PDE5A (0.53) | PDE5APDE3BPDE3AKDM4EALDH1A1 | |
| SCHEMBL7272031 | 0.83 | PDE5A (0.54) | PDE5APDE3BPDE3AKDM4EALDH1A1 | |
| SCHEMBL9636129 | 0.83 | PDE5A (0.51) | PDE5APDE3BPDE3AKDM4EALDH1A1 | |
| SCHEMBL10742502 | 0.82 | PDE5A (0.50) | PDE5APDE3BPDE3AKDM4EALDH1A1 | |
| SCHEMBL9635660 | 0.82 | PDE5A (0.50) | PDE5APDE3BPDE3AKDM4EALDH1A1 | |
| SCHEMBL9634369 | 0.81 | PDE5A (0.49) | PDE5APDE3BPDE3AKDM4EALDH1A1 | |
| SCHEMBL9634881 | 0.81 | PDE5A (0.51) | PDE5APDE3BPDE3AKDM4EALDH1A1 | |
| SCHEMBL10744182 | 0.81 | PDE5A (0.52) | PDE5APDE3BPDE3AKDM4EALDH1A1 | |
| SCHEMBL10745345 | 0.80 | CYP17A1 (0.60) | PDE5APDE3BPDE3ACYP17A1CYP1A2 | |
| SCHEMBL10745825 | 0.80 | PDE5A (0.48) | PDE5APDE3BPDE3AKDM4EALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4696931-A | CARDIOVASCULAR DISORDERS, CARDIOTONIC AGENTS | DR. KARL THOMAE GMBH (DE) | 1987-09-29 | — | — | US | disclosed |
| US-4582837-A | Imidazo[4,5-b] and [4,5-c]pyridine derivatives having cardiotonic activity | DR. KARL THOMAE GMBH (DE) | 1986-04-15 | — | — | US | disclosed |
| EP-0098448-A2 | Imidazole derivatives, their preparation and medicines containing these compounds | Dr. Karl Thomae GmbH (DE) | 1984-01-18 | — | — | EP | disclosed |