Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 1.00 |
| ▸ | RHEB | Q15382 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.32 |
| ▸ | PDE5A | O76074 | 1/20 | 0.32 |
| ▸ | PDE9A | O76083 | 1/20 | 0.32 |
| ▸ | PDE1A | P54750 | 1/20 | 0.32 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5372498 | 0.91 | CYP3A4 (0.83) | CYP3A4AKR1B1THRATHRB | |
| SCHEMBL5377164 | 0.89 | CYP3A4 (0.80) | CYP3A4RHEBSLC6A4AKR1B1HTR2A | |
| SCHEMBL5370307 | 0.89 | CYP3A4 (0.80) | CYP3A4AKR1B1THRATHRB | |
| SCHEMBL5368948 | 0.86 | CYP3A4 (0.75) | CYP3A4PRMT5WDR77 | |
| SCHEMBL5372604 | 0.83 | CYP3A4 (0.71) | CYP3A4THRATHRBADORA3ADORA2A | |
| SCHEMBL5371235 | 0.83 | CYP3A4 (0.71) | CYP3A4THRATHRB | |
| SCHEMBL5375849 | 0.80 | CYP3A4 (0.67) | CYP3A4 | |
| SCHEMBL5365181 | 0.80 | CYP3A4 (0.67) | CYP3A4RHEBSLC6A4AKR1B1HTR2A | |
| SCHEMBL5367092 | 0.80 | CYP3A4 (0.66) | CYP3A4RHEBSLC6A4AKR1B1HTR2A | |
| SCHEMBL5377723 | 0.79 | CYP3A4 (0.66) | CYP3A4RHEBSLC6A4AKR1B1HTR2A |
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 |