Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.37 |
| ▸ | ABAT | P80404 | 1/20 | 0.36 |
| ▸ | PNMT | P11086 | 1/20 | 0.35 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.35 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CSNK2A1 | P68400 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | LOX | P28300 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13772758 | 0.79 | TRPA1 (0.43) | CYP2A6GAAPKMTAAR1NOS3 | |
| SCHEMBL29406921 | 0.78 | ALDH1A1 (0.46) | HRH3LOXL2ABATPNMTENPP2 | |
| SCHEMBL39710 | 0.78 | ALDH1A1 (0.46) | HRH3LOXL2ABATPNMTENPP2 | |
| SCHEMBL14216527 | 0.77 | CYP4F2 (0.35) | — | |
| Iodide SCHEMBL31233435 | 0.76 | ALDH1A1 (0.44) | HRH3LOXL2ABATPNMTENPP2 | |
| SCHEMBL13772884 | 0.76 | CNR1 (0.45) | — | |
| SCHEMBL14407078 | 0.76 | ESR1 (0.48) | GAA | |
| SCHEMBL21699644 | 0.74 | HRH3 (0.40) | HRH3LOXL2ABATPNMTENPP2 | |
| SCHEMBL2221947 | 0.74 | TAAR1 (0.43) | HRH3LOXL2ABATPNMTENPP2 | |
| SCHEMBL8211010 | 0.74 | ALDH1A1 (0.52) | HRH3LOXL2ABATGAANOS3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009100167-A1 | DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS | GLAXO GROUP LIMITED (GB) | 2009-08-13 | — | — | WO | disclosed |
| WO-2009100166-A1 | DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS | GLAXO GROUP LIMITED (GB) | 2009-08-13 | — | — | WO | disclosed |