Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.71 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | THRA | P10827 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 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 | |
|---|---|---|---|---|
| SCHEMBL5371235 | 0.88 | CYP3A4 (0.71) | CYP3A4THRATHRB | |
| SCHEMBL5372498 | 0.88 | CYP3A4 (0.83) | CYP3A4THRATHRBKDM4ENPC1 | |
| SCHEMBL5370307 | 0.87 | CYP3A4 (0.80) | CYP3A4THRATHRB | |
| SCHEMBL5377164 | 0.85 | CYP3A4 (0.80) | CYP3A4MAOATHRATHRBKDM4E | |
| SCHEMBL5374982 | 0.83 | CYP3A4 (1.00) | CYP3A4THRATHRBADORA3ADORA2A | |
| SCHEMBL5375849 | 0.83 | CYP3A4 (0.67) | CYP3A4MAOA | |
| SCHEMBL5385611 | 0.81 | CYP3A4 (0.62) | CYP3A4 | |
| SCHEMBL5368948 | 0.81 | CYP3A4 (0.75) | CYP3A4MAOA | |
| SCHEMBL5376979 | 0.80 | CYP3A4 (0.61) | CYP3A4MAOAMAPTLMNA | |
| SCHEMBL5373845 | 0.75 | CYP3A4 (0.40) | CYP3A4THRATHRBLMNANPC1 |
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 |