Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5048601 | 0.83 | CYP2A6 (0.46) | CYP2A6DYRK1A | |
| SCHEMBL8238127 | 0.79 | CYP2A6 (0.33) | CYP2A6DYRK1AMRGPRX4SLC6A2SLC6A4 | |
| SCHEMBL13742552 | 0.70 | DYRK1A (0.48) | CYP2A6DYRK1AMRGPRX4SLC6A2SLC6A4 | |
| SCHEMBL164774 | 0.69 | CYP2A6 (0.50) | CYP2A6DYRK1A | |
| SCHEMBL18725843 | 0.67 | CYP2A6 (0.36) | CYP2A6DYRK1AMRGPRX4SLC6A2SLC6A4 | |
| SCHEMBL276241 | 0.67 | CYP2A6 (0.41) | CYP2A6DYRK1AMRGPRX4SLC6A2SLC6A4 | |
| SCHEMBL19914470 | 0.67 | CYP2A6 (0.36) | CYP2A6DYRK1AMRGPRX4SLC6A2SLC6A4 | |
| SCHEMBL422225 | 0.67 | CYP2A6 (0.48) | CYP2A6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL911044 | 0.67 | ESR1 (0.44) | CYP2A6MRGPRX4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL405354 | 0.67 | CYP2A6 (0.41) | CYP2A6DYRK1AMRGPRX4 |
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-2008062216-A1 | ELECTRODE | ISIS INNOVATION LIMITED (GB) | 2008-05-29 | — | — | WO | disclosed |