Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.30 |
| ▸ | PDE3A | Q14432 | 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 | |
|---|---|---|---|---|
| SCHEMBL11099822 | 0.83 | PDE3B (0.34) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11100354 | 0.80 | PDE3B (0.48) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11104830 | 0.77 | PDE3B (0.36) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11099862 | 0.73 | PDE3B (0.50) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL10645524 | 0.68 | PDE3B (0.61) | MAPTPDE3BPDE3A | |
| SCHEMBL11101037 | 0.68 | PDE3B (0.52) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL10365547 | 0.67 | PDE4A (0.36) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL10646469 | 0.66 | POLB (0.35) | PDE3BPDE3A | |
| SCHEMBL10363632 | 0.64 | PDE3B (0.38) | PDE3BPDE3A | |
| SCHEMBL10364015 | 0.63 | PDE3B (0.41) | CYP3A4CYP2D6CYP1A2CYP2C19MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0122419-A2 | Substituted 3-mercaptopyridazines, their 3-alkylthio derivatives and processes for their preparation | A. Nattermann & Cie. GmbH (DE) | 1984-10-24 | — | — | EP | disclosed |