Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PRKCI | P41743 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 6/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.32 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.31 |
| ▸ | CLK1 | P49759 | 1/20 | 0.31 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.31 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.31 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL20177570 | 0.84 | PDE4A (0.31) | ALDH1A1CYP1A2CYP2C19PDE4APDE4B | |
| SCHEMBL19559541 | 0.81 | FPR2 (0.34) | — | |
| SCHEMBL20177943 | 0.75 | HTR3A (0.36) | ALDH1A1ESR2POLB | |
| SCHEMBL20177592 | 0.75 | ESRRG (0.34) | ESR2 | |
| SCHEMBL19559484 | 0.73 | TSHR (0.40) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL16785342 | 0.73 | TSHR (0.40) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL20177553 | 0.72 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP2C19PRKCIPDE4A | |
| SCHEMBL19559427 | 0.72 | ALDH1A1 (0.63) | ALDH1A1CYP1A2CYP2C19PDE4APDE4B | |
| SCHEMBL18590498 | 0.72 | ALDH1A1 (0.63) | ALDH1A1CYP1A2CYP2C19PDE4APDE4B | |
| SCHEMBL19412464 | 0.69 | ESR2 (0.42) | ALDH1A1CYP1A2CYP2C19PRKCIPDE4A |
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 |