Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | S100A9 | P06702 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.31 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | THRA | P10827 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | GPR6 | P46095 | 1/20 | 0.30 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5364946 | 0.93 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL5376949 | 0.92 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL5385352 | 0.87 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL5365393 | 0.86 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL5377555 | 0.86 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL5368441 | 0.85 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL5368884 | 0.84 | CYP3A4 (0.68) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL14570716 | 0.84 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL14559741 | 0.82 | CYP3A4 (0.75) | CYP3A4CYP2C9CYP2C19KCNH2THRA | |
| SCHEMBL5373843 | 0.82 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A |
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 |