Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL5381986 | 0.92 | CYP3A4 (0.47) | CYP3A4THRATHRBKDM4ENPC1 | |
| SCHEMBL5373776 | 0.88 | CYP3A4 (0.43) | CYP3A4THRATHRBCYP2C9CYP2C19 | |
| SCHEMBL5375943 | 0.87 | CYP3A4 (0.42) | CYP3A4THRATHRBHTR2ASLC6A4 | |
| SCHEMBL5366918 | 0.86 | CYP3A4 (0.47) | CYP3A4THRATHRBHTR2ASLC6A4 | |
| SCHEMBL5364926 | 0.85 | CYP3A4 (0.54) | CYP3A4THRATHRBRAB9AHTR2A | |
| SCHEMBL5385784 | 0.85 | CYP3A4 (0.44) | CYP3A4THRATHRBKDM4ENPC1 | |
| SCHEMBL5368714 | 0.83 | CYP3A4 (0.53) | CYP3A4THRATHRBKDM4ENPC1 | |
| SCHEMBL5381993 | 0.81 | CYP3A4 (0.47) | CYP3A4THRATHRBKDM4ENPC1 | |
| SCHEMBL5373613 | 0.81 | CYP3A4 (0.51) | CYP3A4THRATHRBHTR2ASLC6A4 | |
| SCHEMBL4367667 | 0.81 | CYP3A4 (0.53) | CYP3A4THRATHRBCYP2C9CYP2C19 |
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 |