Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.72 |
| ▸ | PARP1 | P09874 | 4/20 | 0.35 |
| ▸ | THRA | P10827 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | PSMB11 | A5LHX3 | 1/20 | 0.31 |
| ▸ | PSMA7 | O14818 | 1/20 | 0.31 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.31 |
| ▸ | PSMA1 | P25786 | 1/20 | 0.31 |
| ▸ | PSMA2 | P25787 | 1/20 | 0.31 |
| ▸ | PSMA3 | P25788 | 1/20 | 0.31 |
| ▸ | PSMA4 | P25789 | 1/20 | 0.31 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.31 |
| ▸ | PSMB9 | P28065 | 1/20 | 0.31 |
| ▸ | PSMA5 | P28066 | 1/20 | 0.31 |
| ▸ | PSMB4 | P28070 | 1/20 | 0.31 |
| ▸ | PSMB6 | P28072 | 1/20 | 0.31 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.31 |
| ▸ | PSMB10 | P40306 | 1/20 | 0.31 |
| ▸ | PSMB3 | P49720 | 1/20 | 0.31 |
| ▸ | PSMB2 | P49721 | 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 | |
|---|---|---|---|---|
| SCHEMBL5365374 | 0.91 | CYP3A4 (0.68) | CYP3A4PARP1THRATHRBPSMB11 | |
| SCHEMBL5373725 | 0.86 | CYP3A4 (0.80) | CYP3A4PARP1THRATHRBCFD | |
| SCHEMBL5372475 | 0.84 | CYP3A4 (1.00) | CYP3A4PARP1AKR1B1PKM | |
| SCHEMBL5368780 | 0.83 | CYP3A4 (0.74) | CYP3A4PARP1THRATHRBAKR1B1 | |
| SCHEMBL5368514 | 0.82 | CYP3A4 (0.80) | CYP3A4THRATHRBTDP1 | |
| SCHEMBL5365060 | 0.82 | CYP3A4 (0.71) | CYP3A4THRATHRBAKR1B1 | |
| SCHEMBL5368912 | 0.82 | CYP3A4 (0.83) | CYP3A4PARP1THRATHRBAKR1B1 | |
| SCHEMBL5371101 | 0.82 | CYP3A4 (0.75) | CYP3A4PKM | |
| SCHEMBL5368824 | 0.81 | CYP3A4 (0.70) | CYP3A4AKR1B1 | |
| SCHEMBL5377033 | 0.80 | CYP3A4 (0.76) | CYP3A4THRATHRBAKR1B1 |
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 |