Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.50 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 2/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HTR6 | P50406 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 2/20 | 0.41 |
| ▸ | SNCA | P37840 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16750287 | 0.87 | CNR2 (0.48) | PDE4APDE4BPDE4CPDE4DCNR2 | |
| SCHEMBL18070824 | 0.87 | PDE4A (0.46) | PDE4APDE4BPDE4CPDE4DCNR2 | |
| SCHEMBL16750294 | 0.81 | PDE4A (0.48) | PDE4APDE4BPDE4CPDE4DCNR2 | |
| SCHEMBL16750286 | 0.79 | CNR2 (0.47) | PDE4APDE4BPDE4CPDE4DCNR2 | |
| SCHEMBL6706747 | 0.76 | ALDH1A1 (0.64) | PDE4APDE4BPDE4CPDE4DCNR2 | |
| SCHEMBL9278001 | 0.76 | PDE4A (0.66) | PDE4APDE4BPDE4CPDE4DCNR2 | |
| SCHEMBL5559147 | 0.76 | PDE4A (0.66) | PDE4APDE4BPDE4CPDE4DCNR2 | |
| SCHEMBL5557953 | 0.75 | PDE4A (0.62) | PDE4APDE4BPDE4CPDE4DCNR2 | |
| Hydrochloric Acid SCHEMBL9278006 | 0.75 | PDE4A (0.65) | PDE4APDE4BPDE4CPDE4DCNR2 | |
| SCHEMBL16750295 | 0.74 | PDE4A (0.48) | PDE4APDE4BPDE4CPDE4DCNR2 |
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-2015077502-A1 | TETRACYCLIC AUTOTAXIN INHIBITORS | PHARMAKEA, INC. (US) | 2015-05-28 | — | — | WO | disclosed |