Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.60 |
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11234743 | 0.83 | ALDH1A1 (0.61) | ALDH1A1TDP1NPSR1AAK1CYP3A4 | |
| SCHEMBL7272197 | 0.81 | ALDH1A1 (0.73) | ALDH1A1TDP1NPSR1CYP3A4PIK3CB | |
| SCHEMBL11245132 | 0.79 | AAK1 (0.48) | ALDH1A1TDP1NPSR1AAK1CYP3A4 | |
| SCHEMBL11237788 | 0.79 | AAK1 (0.49) | AAK1CYP3A4PIK3CBDYRK1ACYP2D6 | |
| SCHEMBL7282421 | 0.77 | AAK1 (0.64) | AAK1CYP3A4DYRK1ACYP11B2 | |
| SCHEMBL11246471 | 0.76 | PIK3CB (0.46) | ALDH1A1AAK1CYP3A4PIK3CBDYRK1A | |
| SCHEMBL3514735 | 0.76 | ALDH1A1 (1.00) | ALDH1A1TDP1NPSR1CYP3A4PIK3CB | |
| SCHEMBL2321872 | 0.76 | ALDH1A1 (0.75) | ALDH1A1TDP1NPSR1CYP3A4CYP1A2 | |
| SCHEMBL14072848 | 0.75 | AAK1 (0.50) | AAK1CYP3A4DYRK1ACYP11B2 | |
| SCHEMBL11238638 | 0.75 | ALDH1A1 (0.59) | ALDH1A1TDP1NPSR1CYP3A4CYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4463008-A | 2-Alkoxy-5-(pyridinyl)pyridines and cardiotonic use thereof | STERLING DRUG INC. (US) | 1984-07-31 | — | — | US | disclosed |
| EP-0109027-A1 | Pyridine derivatives, process for their preparation and composition containing them | STERLING DRUG INC. (US) | 1984-05-23 | — | — | EP | disclosed |
| US-4361568-A | 5-(Pyridinyl)-1H-pyrazolo[3,4-b]pyridin-3-amines and their cardiotonic use | STERLING DRUG INC. (US) | 1982-11-30 | — | — | US | disclosed |
| US-4264603-A | 5-(Pyridinyl)-1H-pyrazolo[3,4-b]pyridine-3-amines, their use as cardiotonics and their preparation | STERLING DRUG INC. (US) | 1981-04-28 | — | — | US | disclosed |