Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | THRA | P10827 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 2/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | VEGFA | P15692 | 2/20 | 0.31 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | P2RX3 | P56373 | 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 | |
|---|---|---|---|---|
| SCHEMBL5373843 | 0.91 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP2C19KCNH2CYP2D6 | |
| SCHEMBL5382037 | 0.90 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19KCNH2CYP2D6 | |
| SCHEMBL5368884 | 0.86 | CYP3A4 (0.68) | CYP3A4CYP2C9CYP2C19KCNH2CYP2D6 | |
| SCHEMBL5373625 | 0.86 | CYP3A4 (0.63) | CYP3A4CYP2C9CYP2C19KCNH2THRA | |
| SCHEMBL5373271 | 0.84 | CYP3A4 (0.68) | CYP3A4CYP2C9CYP2C19KCNH2THRA | |
| SCHEMBL14559741 | 0.84 | CYP3A4 (0.75) | CYP3A4CYP2C9CYP2C19KCNH2THRA | |
| SCHEMBL5385352 | 0.83 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19KCNH2SLC22A12 | |
| SCHEMBL4807889 | 0.83 | CYP3A4 (0.84) | CYP3A4CYP2C9CYP2C19KCNH2CYP2D6 | |
| SCHEMBL5365153 | 0.82 | KCNH2 (0.46) | CYP3A4CYP2C9CYP2C19KCNH2CYP2D6 | |
| SCHEMBL5373619 | 0.82 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19KCNH2THRA |
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 2 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 |