Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PTPRC | P08575 | 1/20 | 0.31 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.31 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.31 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.31 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | FCER2 | P06734 | 1/20 | 0.31 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL6406961 | 0.78 | CYP2A6 (0.46) | CYP2A6MMP2MMP13SIGMAR1PDE10A | |
| SCHEMBL6399770 | 0.77 | CYP2A6 (0.32) | CYP2A6CASR | |
| SCHEMBL6406160 | 0.76 | CYP2A6 (0.37) | CYP2A6MMP2MMP13PDE10APTPRC | |
| SCHEMBL6404629 | 0.72 | CYP2A6 (0.43) | CYP2A6MMP2MMP13PDE10AROCK2 | |
| SCHEMBL6403191 | 0.71 | PPARG (0.45) | CYP2A6CTNNB1WNT3A | |
| SCHEMBL6404778 | 0.71 | CYP2A6 (0.41) | CYP2A6MMP2MMP13SIGMAR1PDE10A | |
| SCHEMBL8186959 | 0.69 | CYP2A6 (0.59) | CYP2A6SIGMAR1PDE10AMEN1KMT2A | |
| SCHEMBL6608998 | 0.68 | CYP2A6 (0.41) | CYP2A6SIGMAR1MEN1KMT2APTPRC | |
| SCHEMBL3816398 | 0.67 | CYP2A6 (0.56) | CYP2A6SIGMAR1PDE10APTPRCPTPN6 | |
| SCHEMBL6398236 | 0.66 | CYP2A6 (0.51) | CYP2A6SIGMAR1PDE10AROCK2ROCK1 |
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 |