Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 5/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 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 | |
|---|---|---|---|---|
| SCHEMBL20177801 | 0.84 | ALDH1A1 (0.34) | PDE4AALDH1A1CYP1A2CYP2C19PDE4B | |
| SCHEMBL20177942 | 0.78 | DRD2 (0.32) | — | |
| SCHEMBL18590498 | 0.68 | ALDH1A1 (0.63) | PDE4AALDH1A1CYP1A2CYP2C19PDE4B | |
| SCHEMBL20177553 | 0.68 | ALDH1A1 (0.43) | PDE4AALDH1A1CYP1A2CYP2C19PDE4B | |
| SCHEMBL19559427 | 0.68 | ALDH1A1 (0.63) | PDE4AALDH1A1CYP1A2CYP2C19PDE4B | |
| SCHEMBL19559541 | 0.66 | FPR2 (0.34) | — | |
| SCHEMBL20177538 | 0.66 | — | — | |
| SCHEMBL19412464 | 0.65 | ESR2 (0.42) | PDE4AALDH1A1CYP1A2CYP2C19PDE4B | |
| SCHEMBL10282948 | 0.63 | PRKCI (0.47) | — | |
| SCHEMBL20041973 | 0.61 | TSHR (0.39) | PDE4AALDH1A1PDE4BPDE4CPDE4D |
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-2018092916-A1 | NITROGEN-CONTAINING POLYCYCLIC HETEROCYCLIC DERIVATIVE | 宇部興産株式会社 | 2018-05-24 | — | — | WO | disclosed |