Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 2/20 | 0.46 |
| ▸ | PDE9A | O76083 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8346269 | 0.87 | MEN1 (0.46) | PDE5APDE9ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9544064 | 0.82 | GRIA1 (0.55) | PDE5APDE9ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7352098 | 0.81 | PDE5A (0.44) | PDE5APDE9ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7478166 | 0.80 | PDE5A (0.50) | PDE5APDE9ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8345718 | 0.80 | MEN1 (0.51) | PDE5APDE9ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7359701 | 0.79 | GRIA1 (0.58) | PDE5APDE9ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL24335140 | 0.78 | PDE5A (0.48) | PDE5APDE9ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8117343 | 0.78 | MEN1 (0.47) | PDE5APDE9ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29580737 | 0.78 | PDE5A (0.48) | PDE5APDE9ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7360391 | 0.78 | GRIA1 (0.59) | PDE5APDE9ACYP3A4CYP2C9CYP2C19 |
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-5955461-A | Quinoxalinedione derivatives, their production and use in pharmaceutical agents | SCHERING AKTIENGESELLSCHAFT (DE) | 1999-09-21 | — | — | US | disclosed |
| US-5750525-A | Quinoxalinedione derivatives, their production and use in pharmaceutical agents | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-05-12 | — | — | US | disclosed |