Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.75 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.75 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.75 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.33 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.30 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.30 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.30 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5668069 | 0.93 | CYP3A4 (0.76) | CYP3A4CYP2C9CYP2C19KCNH2SLC5A2 | |
| SCHEMBL4279184 | 0.91 | CYP3A4 (0.74) | CYP3A4CYP2C9CYP2C19KCNH2SLC5A2 | |
| SCHEMBL4274657 | 0.90 | CYP3A4 (0.91) | CYP3A4CYP2C9CYP2C19KCNH2SLC5A2 | |
| SCHEMBL14214335 | 0.90 | CYP3A4 (0.73) | CYP3A4CYP2C9CYP2C19KCNH2SLC5A2 | |
| SCHEMBL4270152 | 0.87 | CYP3A4 (0.68) | CYP3A4CYP2C9CYP2C19KCNH2SLC5A2 | |
| SCHEMBL5375519 | 0.87 | CYP3A4 (0.76) | CYP3A4CYP2C9CYP2C19KCNH2SLC5A2 | |
| SCHEMBL4272969 | 0.86 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19KCNH2SLC5A2 | |
| SCHEMBL5368425 | 0.86 | CYP3A4 (0.86) | CYP3A4CYP2C9CYP2C19KCNH2SLC5A2 | |
| SCHEMBL4274479 | 0.86 | CYP3A4 (0.86) | CYP3A4CYP2C9CYP2C19KCNH2SLC5A2 | |
| SCHEMBL5370521 | 0.84 | CYP3A4 (0.67) | CYP3A4CYP2C9CYP2C19KCNH2SLC5A2 |
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 4 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 |
| EP-1730120-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-12-13 | — | — | EP | disclosed |
| WO-2005090317-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2005-09-29 | — | — | WO | disclosed |