Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | TTR | P02766 | 4/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CBR1 | P16152 | 1/20 | 0.38 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5369034 | 0.94 | CYP3A4 (0.50) | CYP3A4TTRAKR1B1KMT2ALMNA | |
| SCHEMBL5374337 | 0.88 | CYP3A4 (0.47) | CYP3A4AKR1B1SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL5374390 | 0.87 | CYP3A4 (0.46) | CYP3A4AKR1B1KMT2ALMNA | |
| SCHEMBL5373719 | 0.87 | CYP3A4 (0.46) | CYP3A4TTRAKR1B1LMNASLC6A4 | |
| SCHEMBL5373613 | 0.87 | CYP3A4 (0.51) | CYP3A4FFAR1AKR1B1LMNASLC6A4 | |
| SCHEMBL5377021 | 0.85 | AR (0.41) | CYP3A4FFAR1SLC6A3SLC6A4 | |
| SCHEMBL5370291 | 0.85 | CYP3A4 (0.43) | CYP3A4AKR1B1SLC6A2LMNAMAPT | |
| SCHEMBL5368714 | 0.84 | CYP3A4 (0.53) | CYP3A4FFAR1AKR1B1KMT2AMAPT | |
| SCHEMBL5365181 | 0.84 | CYP3A4 (0.67) | CYP3A4AKR1B1SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL4367667 | 0.82 | CYP3A4 (0.53) | CYP3A4TTRAKR1B1MEN1KMT2A |
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 |