Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.64 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | PDE9A | O76083 | 1/20 | 0.36 |
| ▸ | PDE1A | P54750 | 1/20 | 0.36 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.36 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5371174 | 0.89 | CYP3A4 (0.51) | CYP3A4PTGS1PTGS2ALDH1A1TSHR | |
| SCHEMBL5365181 | 0.89 | CYP3A4 (0.67) | CYP3A4SLC6A4HTR2AKCNH2SLC6A2 | |
| SCHEMBL5367092 | 0.88 | CYP3A4 (0.66) | CYP3A4SLC6A4HTR2AKCNH2PTGS1 | |
| SCHEMBL5370245 | 0.88 | CYP3A4 (0.63) | CYP3A4SLC6A4HTR2AKCNH2PTGS1 | |
| SCHEMBL5413137 | 0.88 | CYP3A4 (0.50) | CYP3A4USP2CYP1A2CYP2C9TSHR | |
| SCHEMBL5377723 | 0.88 | CYP3A4 (0.66) | CYP3A4SLC6A4HTR2AKCNH2SLC6A2 | |
| SCHEMBL5365171 | 0.88 | CYP3A4 (0.49) | CYP3A4SLC6A4HTR2AKCNH2 | |
| SCHEMBL5370985 | 0.88 | CYP3A4 (0.48) | CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL5372601 | 0.87 | CYP3A4 (0.62) | CYP3A4SLC6A4HTR2AKCNH2PTGS1 | |
| SCHEMBL5370972 | 0.87 | CYP3A4 (0.49) | CYP3A4FNTAFNTBPGGT1B |
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 |