Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 13/20 | 0.55 |
| ▸ | PDE4A | P27815 | 5/20 | 0.55 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.55 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL28033753 | 0.94 | PDE4B (0.59) | PDE4BPDE4APDE4CPDE4D | |
| SCHEMBL4278555 | 0.89 | PDE4B (0.63) | PDE4BPDE4APDE4CPDE4D | |
| SCHEMBL2090601 | 0.89 | PDE4B (0.60) | PDE4BPDE4APDE4CPDE4DTSHR | |
| SCHEMBL1808476 | 0.87 | TSHR (0.63) | TSHRMAPK1ALDH1A1 | |
| SCHEMBL28034335 | 0.86 | TSHR (0.64) | PDE4BPDE4APDE4CPDE4DTSHR | |
| SCHEMBL28034364 | 0.85 | MAPK1 (0.65) | PDE4BPDE4APDE4CPDE4DTSHR | |
| SCHEMBL28033787 | 0.85 | PDE4B (0.57) | PDE4BPDE4APDE4CPDE4D | |
| SCHEMBL23047404 | 0.84 | PDE4B (0.56) | PDE4BPDE4APDE4CPDE4DTSHR | |
| SCHEMBL2803310 | 0.84 | PDE4B (0.55) | PDE4BPDE4APDE4CPDE4DKDM4E | |
| SCHEMBL30362197 | 0.83 | CA12 (0.53) | PDE4BPDE4APDE4CPDE4DKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105085429-B | Aromatic heterocyclic derivative and application thereof in medicines | 广东东阳光药业有限公司 | 2019-12-10 | — | — | CN | disclosed |
| CN-105085429-A | Heteroaromatic derivative and application thereof to medicament | GUANGDONG HEC PHARMACEUTICAL | 2015-11-25 | — | — | CN | disclosed |