Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | PARP1 | P09874 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | THRA | P10827 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 4/20 | 0.36 |
| ▸ | FNTA | P49354 | 1/20 | 0.35 |
| ▸ | FNTB | P49356 | 1/20 | 0.35 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.35 |
| ▸ | SOD1 | P00441 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5371174 | 0.89 | CYP3A4 (0.51) | CYP3A4PARP1ADORA2AADORA1THRA | |
| SCHEMBL5413137 | 0.88 | CYP3A4 (0.50) | CYP3A4ADORA2AADORA1 | |
| SCHEMBL5370985 | 0.88 | CYP3A4 (0.48) | CYP3A4PARP1ADORA2AADORA1THRA | |
| SCHEMBL5364926 | 0.87 | CYP3A4 (0.54) | CYP3A4PARP1ADORA2AADORA1THRA | |
| SCHEMBL5365245 | 0.87 | CYP3A4 (0.49) | CYP3A4PARP1ADORA2AADORA1THRA | |
| SCHEMBL5377473 | 0.87 | CYP3A4 (0.52) | CYP3A4PARP1ADORA2AADORA1THRA | |
| SCHEMBL5368939 | 0.87 | CYP3A4 (0.64) | CYP3A4FNTAFNTBPGGT1B | |
| SCHEMBL5377299 | 0.84 | CYP3A4 (0.47) | CYP3A4 | |
| SCHEMBL5375295 | 0.84 | CYP3A4 (0.47) | CYP3A4FNTAFNTBPGGT1BSLC22A12 | |
| SCHEMBL5365171 | 0.81 | CYP3A4 (0.49) | CYP3A4THRATHRB |
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 |