Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.57 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.57 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.57 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.57 |
| ▸ | PGK1 | P00558 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.54 |
| ▸ | HPGD | P15428 | 4/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | THRB | P10828 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9849805 | 0.85 | ALDH1A1 (0.44) | PDE4APDE4BPDE4CPDE4DPGK1 | |
| SCHEMBL15831843 | 0.85 | KDM4E (0.61) | ALDH1A1HPGDMEN1KMT2AKDM4E | |
| SCHEMBL9849350 | 0.84 | TDP1 (0.45) | PDE4APDE4BPDE4CPDE4DPGK1 | |
| SCHEMBL9849611 | 0.83 | KDM4E (0.47) | PGK1ALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL29313542 | 0.79 | ALDH1A1 (0.54) | PDE4APDE4BPDE4CPDE4DPGK1 | |
| SCHEMBL6072029 | 0.78 | PGK1 (0.61) | PDE4APDE4BPDE4CPDE4DPGK1 | |
| SCHEMBL27730106 | 0.78 | PGK1 (0.61) | PDE4APDE4BPDE4CPDE4DPGK1 | |
| SCHEMBL28255594 | 0.77 | PDE4A (0.57) | PDE4APDE4BPDE4CPDE4DPGK1 | |
| SCHEMBL15831814 | 0.77 | KDM4E (0.48) | ALDH1A1HPGDKDM4ELMNATSHR | |
| SCHEMBL15831940 | 0.76 | HDAC1 (0.48) | PGK1ALDH1A1HPGDMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0446604-A2 | Pyridine and related aza heterocycle derivatives as cardiovascular agents | AMERICAN CYANAMID COMPANY (US) | 1991-09-18 | — | — | EP | disclosed |