Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.30 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL22905235 | 0.76 | TRPA1 (0.37) | CHRNB2CHRNA4HCAR2TRPA1GRIN1 | |
| SCHEMBL5258390 | 0.71 | FDPS (0.41) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27389566 | 0.71 | HCAR2 (0.36) | CHRNB2CHRNA4HCAR2TRPA1 | |
| SCHEMBL5547868 | 0.69 | CHRNB2 (0.35) | CHRNB2CHRNA4HCAR2TRPA1 | |
| SCHEMBL8440879 | 0.69 | TRPA1 (0.43) | CHRNB2CHRNA4HCAR2TRPA1GRIN1 | |
| SCHEMBL95876 | 0.67 | SLC6A2 (0.47) | TRPA1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL11389658 | 0.67 | — | — | |
| SCHEMBL990624 | 0.66 | HCAR2 (0.39) | HCAR2 | |
| SCHEMBL7221718 | 0.66 | — | — | |
| SCHEMBL805059 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999055703-A1 | 2-ALKYL-3-(HETERO)ARYL-8-AZABICYCLO[3.2.1]ALKANES AS PESTICIDES | ZENECA LIMITED (GB) | 1999-11-04 | — | — | WO | disclosed |