Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADA | P00813 | 6/20 | 1.00 |
| ▸ | PDE2A | O00408 | 3/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 2/20 | 1.00 |
| ▸ | PDE4A | P27815 | 1/20 | 1.00 |
| ▸ | PDE4B | Q07343 | 1/20 | 1.00 |
| ▸ | PDE4C | Q08493 | 1/20 | 1.00 |
| ▸ | PDE4D | Q08499 | 1/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 1/20 | 1.00 |
| ▸ | ALOX15 | P16050 | 1/20 | 1.00 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 1.00 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 1.00 |
| ▸ | TSHR | P16473 | 1/20 | 1.00 |
| ▸ | HIF1A | Q16665 | 1/20 | 1.00 |
| ▸ | LMNA | P02545 | 1/20 | 0.98 |
| ▸ | BLM | P54132 | 1/20 | 0.98 |
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 | |
|---|---|---|---|---|
| Ehna SCHEMBL1742893 | 1.00 | ADA (1.00) | ADAPDE2ACYP3A4PDE4APDE4B | |
| (+)-Ehna SCHEMBL1742728 | 1.00 | ADA (1.00) | ADAPDE2ACYP3A4PDE4APDE4B | |
| (+)-Ehna SCHEMBL1740490 | 1.00 | ADA (1.00) | ADAPDE2ACYP3A4PDE4APDE4B | |
| (+)-Ehna SCHEMBL29481903 | 0.99 | PDE2A (1.00) | ADAPDE2ACYP3A4PDE4APDE4B | |
| (+)-Ehna SCHEMBL14975587 | 0.99 | PDE2A (1.00) | ADAPDE2ACYP3A4PDE4APDE4B | |
| Ehna SCHEMBL29391683 | 0.99 | PDE2A (1.00) | ADAPDE2ACYP3A4PDE4APDE4B | |
| SCHEMBL1740514 | 0.99 | ADA (0.98) | ADAPDE2ACYP3A4PDE4APDE4B | |
| SCHEMBL9083113 | 0.90 | ADA (0.82) | ADAPDE2ACYP3A4PDE4APDE4B | |
| SCHEMBL9083109 | 0.90 | ADA (0.82) | ADAPDE2ACYP3A4PDE4APDE4B | |
| SCHEMBL8585722 | 0.90 | ADA (0.82) | ADAPDE2ACYP3A4PDE4APDE4B |
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-2013078138-A1 | PROTON NMR SPECTROSCOPY FOR BIOCHEMICAL SCREENING | OSI Pharmaceuticals, LLC (US) | 2013-05-30 | — | — | WO | disclosed |