Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 17/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CDC7 | O00311 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11084451 | 0.86 | CYP19A1 (0.46) | CYP19A1CDC7 | |
| SCHEMBL10760540 | 0.81 | PDE3B (0.55) | CYP19A1CYP3A4CYP2D6 | |
| SCHEMBL11080028 | 0.77 | PDE3B (0.44) | CYP19A1GSK3BCDC7 | |
| SCHEMBL10761590 | 0.73 | PDE3B (0.57) | CYP19A1CYP3A4CYP2D6 | |
| SCHEMBL11083746 | 0.73 | CYP19A1 (0.39) | CYP19A1GSK3BCDC7 | |
| SCHEMBL10762285 | 0.68 | PDE3B (0.60) | CYP19A1CYP3A4CYP2D6 | |
| SCHEMBL11089316 | 0.65 | DDB1 (0.32) | CYP19A1 | |
| SCHEMBL10764278 | 0.64 | PDE3B (0.46) | CYP19A1CYP3A4CYP2D6 | |
| SCHEMBL11090412 | 0.63 | PDE3B (0.63) | CDC7 | |
| SCHEMBL11112991 | 0.62 | CYP19A1 (0.44) | CYP19A1CDC7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0109628-A1 | 2(1H)-pyridinones and preparation, useful as cardiotonics | STERLING DRUG INC. (US) | 1984-05-30 | — | — | EP | disclosed |
| US-4431651-A | 2-Pyridinones and their use as cardiotonic agents | STERLING DRUG INC. (US) | 1984-02-14 | — | — | US | disclosed |