Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.61 |
| ▸ | REN | P00797 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 5/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | KCNA3 | P22001 | 2/20 | 0.32 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5385611 | 0.86 | CYP3A4 (0.62) | CYP3A4 | |
| SCHEMBL5377164 | 0.82 | CYP3A4 (0.80) | CYP3A4MAOAMAOB | |
| SCHEMBL5372604 | 0.80 | CYP3A4 (0.71) | CYP3A4MAOAMAPTLMNA | |
| SCHEMBL5375849 | 0.80 | CYP3A4 (0.67) | CYP3A4MAOAMAOB | |
| SCHEMBL5368855 | 0.77 | CYP3A4 (0.41) | CYP3A4MAPTLMNA | |
| SCHEMBL5374982 | 0.76 | CYP3A4 (1.00) | CYP3A4 | |
| SCHEMBL5370463 | 0.74 | CYP3A4 (0.63) | CYP3A4CNR2 | |
| SCHEMBL5368948 | 0.73 | CYP3A4 (0.75) | CYP3A4MAOAMAOB | |
| SCHEMBL5367220 | 0.73 | CYP3A4 (0.84) | CYP3A4 | |
| SCHEMBL5373808 | 0.72 | CYP3A4 (0.69) | CYP3A4 |
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 |