Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 2/20 | 0.52 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.50 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.50 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.50 |
| ▸ | CNR1 | P21554 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | KLK7 | P49862 | 1/20 | 0.47 |
| ▸ | CLK1 | P49759 | 1/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3515912 | 0.84 | CFTR (0.53) | CYP11B2MKNK1MKNK2KCNMA1CNR1 | |
| SCHEMBL18057577 | 0.82 | PTGDR2 (0.50) | MEN1KMT2AMAPTCYP2C19 | |
| Acetic Acid SCHEMBL27950053 | 0.81 | MEN1 (0.48) | CYP11B2MKNK1MKNK2CNR1MEN1 | |
| SCHEMBL9206961 | 0.79 | CYP2A6 (0.53) | MKNK1MKNK2KMT2AMAPTCYP2C9 | |
| SCHEMBL8940388 | 0.79 | P2RX1 (0.46) | CNR1MEN1KMT2AMAPT | |
| SCHEMBL14439661 | 0.78 | ALDH1A1 (0.48) | MEN1KMT2AMAPTMAPK1 | |
| SCHEMBL16574106 | 0.78 | CYP2A6 (0.51) | CYP11B2CNR1MEN1KMT2ACYP2C9 | |
| SCHEMBL7582709 | 0.77 | CYP2A6 (0.53) | CYP11B2MKNK1MKNK2CNR1MAPT | |
| SCHEMBL28115752 | 0.76 | CYP2A6 (0.51) | CYP11B2CNR1MEN1KMT2AMAPT | |
| SCHEMBL16982975 | 0.74 | CYP2A6 (0.51) | CYP11B2CNR1MEN1KMT2AMAPT |
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-0049854-B1 | PYRIDINE AND PYRAZINE DERIVATIVES, PREPARATION OF THESE COMPOUNDS, FUNGICIDAL AGENTS CONTAINING THESE COMPOUNDS AS ACTIVE INGREDIENTS, AND THE USE OF SUCH COMPOUNDS OR AGENTS AS FUNGICIDES IN AGRICULTURE AND IN HORTICULTURE | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1985-01-16 | — | — | EP | disclosed |