Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTH1R | Q03431 | 3/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.30 |
| ▸ | KDM4B | O94953 | 1/20 | 0.30 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | DOHH | Q9BU89 | 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 | |
|---|---|---|---|---|
| SCHEMBL5358455 | 0.85 | BCHE (0.37) | PTH1RBCHECES1CHRM1NR1I2 | |
| SCHEMBL5351487 | 0.84 | PTH1R (0.36) | PTH1RCHRM1PDE4APDE4BPDE4C | |
| SCHEMBL5320870 | 0.84 | PDE4B (0.42) | PTH1RCHRM1PDE4APDE4BPDE4C | |
| SCHEMBL5354276 | 0.84 | PTH1R (0.34) | PTH1RCHRM1PDE4APDE4BPDE4C | |
| SCHEMBL5325236 | 0.81 | PTH1R (0.46) | PTH1RCHRM1PDE4APDE4BPDE4C | |
| SCHEMBL5349032 | 0.78 | PTH1R (0.49) | PTH1RCES1CHRM1PDE4APDE4B | |
| SCHEMBL5326236 | 0.77 | PTH1R (0.41) | PTH1R | |
| SCHEMBL5361939 | 0.76 | PDE4A (0.40) | PTH1RPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5321928 | 0.73 | ALDH1A1 (0.35) | PTH1RCHRM1NR1I2KDM4BTBXA2R | |
| SCHEMBL5355386 | 0.69 | ALDH1A1 (0.36) | PTH1RCHRM1PDE4APDE4BPDE4C |
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-2007135417-A1 | BENZOTRIAZEPINONE DERIVATIVES | JAMES BLACK FOUNDATION (GB) | 2007-11-29 | — | — | WO | disclosed |