Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.66 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | PTPRC | P08575 | 1/20 | 0.41 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.41 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.41 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.40 |
| ▸ | WNT3A | P56704 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 4/20 | 0.37 |
| ▸ | CA2 | P00918 | 4/20 | 0.37 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrogen Sulfide SCHEMBL6399522 | 0.96 | CYP2A6 (0.61) | CYP2A6IDO1DYRK1APTPRCPTPN6 | |
| SCHEMBL10230281 | 0.83 | CYP2A6 (0.46) | CYP2A6IDO1DYRK1APTPRCPTPN6 | |
| SCHEMBL112311 | 0.79 | CYP2A6 (1.00) | CYP2A6DYRK1APTPRCPTPN6PTPN11 | |
| SCHEMBL202744 | 0.79 | CYP2A6 (0.66) | CYP2A6DYRK1APTPRCPTPN6PTPN11 | |
| SCHEMBL8051994 | 0.79 | CYP2A6 (0.66) | CYP2A6DYRK1APTPRCPTPN6PTPN11 | |
| SCHEMBL29469368 | 0.79 | CYP2A6 (0.66) | CYP2A6DYRK1APTPRCPTPN6PTPN11 | |
| SCHEMBL202117 | 0.79 | CYP2A6 (0.66) | CYP2A6DYRK1APTPRCPTPN6PTPN11 | |
| SCHEMBL1774025 | 0.79 | CYP2A6 (0.66) | CYP2A6DYRK1APTPRCPTPN6PTPN11 | |
| SCHEMBL1863293 | 0.79 | CYP2A6 (0.66) | CYP2A6DYRK1APTPRCPTPN6PTPN11 | |
| Hydrochloric Acid SCHEMBL23088146 | 0.78 | CYP2A6 (0.96) | CYP2A6DYRK1APTPRCPTPN6PTPN11 |
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-1289980-B1 | BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES | SMITHKLINE BEECHAM PLC (GB) | 2004-11-17 | — | — | EP | disclosed |