Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5368514 | 0.87 | CYP3A4 (0.80) | CYP3A4CYP1A2CYP2C9ALOX15NFKB1 | |
| SCHEMBL5365060 | 0.87 | CYP3A4 (0.71) | CYP3A4THRATHRBPOLBMAPT | |
| SCHEMBL5373725 | 0.87 | CYP3A4 (0.80) | CYP3A4CYP1A2HPGDTHRATHRB | |
| SCHEMBL5369076 | 0.84 | CYP3A4 (0.67) | CYP3A4THRATHRBKDM4EPOLB | |
| SCHEMBL5368912 | 0.83 | CYP3A4 (0.83) | CYP3A4THRATHRB | |
| SCHEMBL5372475 | 0.80 | CYP3A4 (1.00) | CYP3A4HPGDALOX15TSHRPDE4B | |
| SCHEMBL5371101 | 0.80 | CYP3A4 (0.75) | CYP3A4HSD17B10ALOX15KDM4EPOLB | |
| SCHEMBL5377729 | 0.80 | CYP3A4 (0.72) | CYP3A4THRATHRB | |
| SCHEMBL5365374 | 0.79 | CYP3A4 (0.68) | CYP3A4THRATHRBMAPT | |
| SCHEMBL5368780 | 0.79 | CYP3A4 (0.74) | CYP3A4CYP1A2THRATHRBKDM4E |
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 |