Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | THRA | P10827 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 2/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.34 |
| ▸ | IDH1 | O75874 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.34 |
| ▸ | S1PR2 | O95136 | 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 | |
|---|---|---|---|---|
| SCHEMBL5371174 | 0.90 | CYP3A4 (0.51) | CYP3A4TSHRTHRATHRBPARP1 | |
| SCHEMBL5413137 | 0.89 | CYP3A4 (0.50) | CYP3A4CYP2C9TSHRCYP2C19IDH1 | |
| SCHEMBL5365171 | 0.88 | CYP3A4 (0.49) | CYP3A4THRATHRB | |
| SCHEMBL5368939 | 0.88 | CYP3A4 (0.64) | CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL5370972 | 0.88 | CYP3A4 (0.49) | CYP3A4THRATHRBPARP1ADORA2A | |
| SCHEMBL5365245 | 0.88 | CYP3A4 (0.49) | CYP3A4THRATHRBPARP1ADORA2A | |
| SCHEMBL5370472 | 0.87 | CYP3A4 (0.48) | CYP3A4DAOTTRCYP2C9TSHR | |
| SCHEMBL5365424 | 0.87 | CYP3A4 (0.48) | CYP3A4TTRCYP2C9TSHRCYP2C19 | |
| SCHEMBL4367667 | 0.85 | CYP3A4 (0.53) | CYP3A4DAOTTRCYP2C9TSHR | |
| SCHEMBL5368917 | 0.85 | CYP3A4 (0.48) | CYP3A4DAOTTRCYP2C9TSHR |
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 |