Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.75 |
| ▸ | FNTA | P49354 | 1/20 | 0.35 |
| ▸ | FNTB | P49356 | 1/20 | 0.35 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.35 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.35 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 12/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 8/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5375849 | 0.90 | CYP3A4 (0.67) | CYP3A4CYP11B1CYP11B2MAOAMAOB | |
| SCHEMBL5370307 | 0.86 | CYP3A4 (0.80) | CYP3A4 | |
| SCHEMBL5374982 | 0.86 | CYP3A4 (1.00) | CYP3A4PRMT5WDR77 | |
| SCHEMBL5372498 | 0.81 | CYP3A4 (0.83) | CYP3A4 | |
| SCHEMBL5377164 | 0.81 | CYP3A4 (0.80) | CYP3A4CYP11B1CYP11B2MAOAMAOB | |
| SCHEMBL5372604 | 0.81 | CYP3A4 (0.71) | CYP3A4MAOA | |
| SCHEMBL5371235 | 0.81 | CYP3A4 (0.71) | CYP3A4 | |
| SCHEMBL5377579 | 0.80 | CYP3A4 (0.52) | CYP3A4FNTAFNTBPGGT1BPRMT5 | |
| SCHEMBL5374410 | 0.80 | CYP3A4 (0.49) | CYP3A4FNTAFNTBPGGT1BPRMT5 | |
| SCHEMBL5370328 | 0.80 | CYP3A4 (0.47) | CYP3A4FNTAFNTBPGGT1BPRMT5 |
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 |