Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 6/20 | 0.56 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.56 |
| ▸ | PDE4B | Q07343 | 6/20 | 0.56 |
| ▸ | PDE4C | Q08493 | 6/20 | 0.56 |
| ▸ | PDE4D | Q08499 | 6/20 | 0.56 |
| ▸ | CNOT7 | Q9UIV1 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | BRD2 | P25440 | 1/20 | 0.46 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.46 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10812168 | 0.89 | PDE4A (0.53) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL26925735 | 0.83 | CYP3A4 (0.66) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL13861874 | 0.81 | CNOT7 (0.70) | ADORA2ACNOT7ALDH1A1MEN1KMT2A | |
| SCHEMBL9293981 | 0.79 | CNOT7 (0.47) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL8355196 | 0.79 | CYP3A4 (0.64) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL9293978 | 0.78 | CNOT7 (0.43) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL13217674 | 0.77 | ALDH1A1 (0.66) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL7464482 | 0.77 | PDE4A (0.86) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL27461932 | 0.77 | PDE4A (0.49) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL8660274 | 0.76 | CNOT7 (0.49) | PDE4AADORA2APDE4BPDE4CPDE4D |
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-0413278-A2 | Use of xanthine derivatives against peptic ulcers | HOECHST JAPAN LIMITED (JP) | 1991-02-20 | — | — | EP | disclosed |