Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TTR | P02766 | 1/20 | 0.39 |
| ▸ | ALB | P02768 | 1/20 | 0.39 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19993198 | 0.89 | ESR1 (0.38) | APPCYP3A4CYP2C9CYP2C19PTGS2 | |
| SCHEMBL19993062 | 0.87 | ESR1 (0.41) | APPCYP3A4CYP2C9CYP2C19PDE3B | |
| SCHEMBL12445903 | 0.83 | PDE3B (0.39) | PDE3BPDE3APTGS2KDM4EMEN1 | |
| SCHEMBL16104369 | 0.83 | LMNA (0.46) | CYP2C9CYP2C19PDE3BPDE3APTGS2 | |
| SCHEMBL9057929 | 0.81 | ALDH1A1 (0.52) | APPCYP3A4CYP2C9CYP2C19PDE3B | |
| SCHEMBL19993178 | 0.80 | ESR1 (0.38) | APPCYP3A4CYP2C9CYP2C19PDE3B | |
| SCHEMBL23252421 | 0.74 | APP (0.41) | APPCYP3A4CYP2C9CYP2C19PDE3B | |
| SCHEMBL257801 | 0.74 | ACHE (0.50) | APPCYP3A4CYP2C9CYP2C19PDE3B | |
| SCHEMBL21497175 | 0.74 | PTGS2 (0.43) | APPCYP3A4CYP2C9CYP2C19PDE3B | |
| SCHEMBL20898100 | 0.74 | NPC1 (0.49) | APPCYP3A4CYP2C9CYP2C19PDE3B |
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-2399585-A1 | Boronic acids and esters as inhibitors of fatty acid amide hydrolase | Infinity Pharmaceuticals, Inc. (US) | 2011-12-28 | — | — | EP | disclosed |