Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 9/20 | 0.60 |
| ▸ | DPP4 | P27487 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 1/20 | 0.43 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | TACR3 | P29371 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3016355 | 1.00 | PDE4B (0.60) | PDE4BDPP4ALDH1A1TACR1GPR119 | |
| SCHEMBL3016360 | 1.00 | PDE4B (0.60) | PDE4BDPP4ALDH1A1TACR1GPR119 | |
| SCHEMBL13209089 | 1.00 | PDE4B (0.60) | PDE4BDPP4ALDH1A1TACR1GPR119 | |
| SCHEMBL16108740 | 0.92 | PDE4B (0.60) | PDE4BTACR1 | |
| SCHEMBL16108739 | 0.92 | PDE4B (0.60) | PDE4BTACR1 | |
| SCHEMBL14642030 | 0.90 | PDE4B (0.50) | PDE4BPDE4APDE4CPDE4D | |
| SCHEMBL3012198 | 0.89 | PDE4B (0.47) | PDE4BDPP4ALDH1A1TACR1GPR119 | |
| SCHEMBL7914442 | 0.89 | PDE4B (0.47) | PDE4BDPP4ALDH1A1TACR1GPR119 | |
| SCHEMBL3012199 | 0.89 | PDE4B (0.47) | PDE4BDPP4ALDH1A1TACR1GPR119 | |
| SCHEMBL4252028 | 0.88 | PDE4B (0.57) | PDE4BTACR1 |
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-2010086259-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-08-05 | — | — | WO | disclosed |