Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.60 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 3/20 | 0.37 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.37 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.35 |
| ▸ | PDE9A | O76083 | 1/20 | 0.35 |
| ▸ | PDE1A | P54750 | 1/20 | 0.35 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.35 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | LYN | P07948 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | MMP14 | P50281 | 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 | |
|---|---|---|---|---|
| SCHEMBL5375921 | 0.91 | CYP3A4 (0.48) | CYP3A4AKR1B1FAAHPTGS1PTGS2 | |
| SCHEMBL5375418 | 0.89 | CYP3A4 (0.60) | CYP3A4AKR1B1FAAHPRMT5WDR77 | |
| SCHEMBL5374289 | 0.88 | CYP3A4 (0.64) | CYP3A4AKR1B1FAAHPRMT5WDR77 | |
| SCHEMBL5375382 | 0.87 | CYP3A4 (0.45) | CYP3A4AKR1B1FAAHPRMT5WDR77 | |
| SCHEMBL5377482 | 0.85 | CYP3A4 (0.57) | CYP3A4FAAHPRMT5WDR77 | |
| SCHEMBL5369070 | 0.83 | CYP3A4 (0.47) | CYP3A4PTGS1PTGS2LYN | |
| SCHEMBL5367092 | 0.83 | CYP3A4 (0.66) | CYP3A4AKR1B1PRMT5WDR77AHR | |
| SCHEMBL5368939 | 0.81 | CYP3A4 (0.64) | CYP3A4AKR1B1PRMT5WDR77AHR | |
| SCHEMBL5373837 | 0.80 | CYP3A4 (0.47) | CYP3A4FAAH | |
| SCHEMBL5367047 | 0.80 | CYP3A4 (0.54) | CYP3A4FAAH |
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 |
|---|---|---|---|---|---|---|---|
| US-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |
| US-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |
| US-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |