Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 5/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | BCR | P11274 | 1/20 | 0.37 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.36 |
| ▸ | SLC2A2 | P11168 | 1/20 | 0.36 |
| ▸ | SLC2A3 | P11169 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | PLK4 | O00444 | 1/20 | 0.35 |
| ▸ | EIF2AK3 | Q9NZJ5 | 2/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | PDE9A | O76083 | 1/20 | 0.33 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL28791757 | 0.89 | HTR6 (0.36) | CYP3A4NR3C1ABL1BCRSLC2A1 | |
| Tert-Butyl Formate SCHEMBL27630985 | 0.87 | EGFR (0.45) | CYP3A4ABL1BCREGFRBTK | |
| SCHEMBL28794697 | 0.86 | NR3C1 (0.36) | CYP3A4NR3C1ABL1BCRSLC2A1 | |
| SCHEMBL28794699 | 0.85 | CYP3A4 (0.39) | CYP3A4NR3C1ABL1BCRSLC2A1 | |
| Tert-Butyl Formate SCHEMBL28794668 | 0.84 | ADA (0.39) | PLK4PIK3CAMTORPDE9APDE1C | |
| SCHEMBL27797037 | 0.82 | PDE9A (0.40) | NR3C1SLC2A1SLC2A2SLC2A3PLK4 | |
| Tert-Butyl Formate SCHEMBL27620897 | 0.81 | PIP4K2A (0.39) | — | |
| Tert-Butyl Formate SCHEMBL27864305 | 0.77 | ADK (0.42) | ABL1EIF2AK3EGFR | |
| Tert-Butyl Formate SCHEMBL27852878 | 0.74 | PDE9A (0.38) | PLK4PIK3CAMTORPDE9APDE1C | |
| SCHEMBL2075668 | 0.74 | ABL1 (0.47) | NR3C1ABL1BCRSLC2A1SLC2A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102036991-A | GPR119 receptor agonists | HOFFMANN LA ROCHE | 2011-04-27 | — | — | CN | disclosed |
| CN-101242834-A | Inhibitors of AKT activity | MERCK & CO INC (US) | 2008-08-13 | — | — | CN | disclosed |
| CN-1809354-A | Inhibitors of Akt activity | MERCK & CO INC (US) | 2006-07-26 | — | — | CN | disclosed |