Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 5/20 | 0.34 |
| ▸ | CA12 | O43570 | 4/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.31 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.31 |
| ▸ | WNT3A | P56704 | 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 | |
|---|---|---|---|---|
| SCHEMBL6608273 | 0.81 | CYP2A6 (0.40) | CYP2A6MMP2MMP13PDE10ACA2 | |
| SCHEMBL6403070 | 0.80 | MMP2 (0.38) | CYP2A6MMP2MMP13PDE10ACA2 | |
| SCHEMBL6405762 | 0.80 | SIGMAR1 (0.36) | CYP2A6MMP2MMP13PDE10ACA2 | |
| SCHEMBL6608267 | 0.79 | CYP2A6 (0.40) | CYP2A6MMP2MMP13PDE10ACA2 | |
| SCHEMBL6608264 | 0.79 | CYP2A6 (0.40) | CYP2A6MMP2MMP13PDE10ACA2 | |
| SCHEMBL6399308 | 0.79 | MMP2 (0.42) | CYP2A6MMP2MMP13PDE10ACA2 | |
| SCHEMBL6405750 | 0.76 | HPGD (0.38) | CYP2A6MMP2MMP13PDE10ACA2 | |
| SCHEMBL6405755 | 0.76 | HPGD (0.38) | CYP2A6MMP2MMP13PDE10ACA2 | |
| SCHEMBL6608461 | 0.75 | CYP2A6 (0.38) | CYP2A6MMP2MMP13PDE10ACA2 | |
| SCHEMBL6403067 | 0.75 | CYP2A6 (0.38) | CYP2A6MMP2MMP13PDE10ACA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1289980-A1 | BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES | SMITHKLINE BEECHAM PLC (GB) | 2003-03-12 | — | — | EP | disclosed |
| WO-2001090100-A1 | BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES | SMITHKLINE BEECHAM P.L.C. (GB) | 2001-11-29 | — | — | WO | disclosed |