Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | ADA | P00813 | 4/20 | 0.35 |
| ▸ | PDE2A | O00408 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | DNMT3B | Q9UBC3 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7155208 | 0.80 | FDPS (0.39) | FDPSHDAC1HDAC6ADAPDE2A | |
| SCHEMBL7452578 | 0.78 | CPB2 (0.37) | FDPSHDAC1HDAC6KDM4EALDH1A1 | |
| SCHEMBL29782912 | 0.77 | FDPS (0.41) | FDPSHDAC1HDAC6ADAPDE2A | |
| SCHEMBL7457885 | 0.76 | FDPS (0.37) | FDPSHDAC1HDAC6CYP3A4KDM4E | |
| SCHEMBL7446851 | 0.76 | FDPS (0.40) | FDPSHDAC1HDAC6CYP3A4ALDH1A1 | |
| SCHEMBL7456848 | 0.76 | FDPS (0.40) | FDPSHDAC1HDAC6CYP3A4ALDH1A1 | |
| SCHEMBL25849033 | 0.75 | FDPS (0.41) | FDPSADAPDE2ACYP3A4PDE4A | |
| SCHEMBL21311452 | 0.75 | FDPS (0.41) | FDPSADAPDE2ACYP3A4PDE4A | |
| SCHEMBL7450249 | 0.75 | HDAC1 (0.41) | FDPSHDAC1HDAC6CYP3A4ALDH1A1 | |
| SCHEMBL25826138 | 0.74 | ADA (0.43) | FDPSADAPDE2ACYP3A4PDE4A |
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-2486039-A1 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | Sloan Kettering Institute For Cancer Research (US) | 2012-08-15 | — | — | EP | disclosed |