Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20177848 | 0.86 | ALDH1A1 (0.39) | ALDH1A1KMT2AMAPTSMN1; SMN2GRM5 | |
| SCHEMBL20177834 | 0.83 | PDE4A (0.44) | PDE4APDE4BPDE4CPDE4DMAPT | |
| SCHEMBL24184779 | 0.72 | GRM5 (0.36) | PDE4APDE4BPDE4CPDE4DMAPT | |
| SCHEMBL20177653 | 0.71 | GSK3B (0.48) | ALDH1A1KMT2APDE4APDE4BPDE4C | |
| SCHEMBL18117769 | 0.71 | PDE4A (0.50) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL19559459 | 0.71 | PDE4A (0.50) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL24257180 | 0.70 | POLB (0.33) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL24184129 | 0.70 | PDE4A (0.35) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL24257179 | 0.70 | POLB (0.33) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL19559422 | 0.70 | HCRTR1 (0.38) | PDE4APDE4BPDE4CPDE4DMAPT |
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 |