Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.41 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.41 |
| ▸ | FNTA | P49354 | 2/20 | 0.40 |
| ▸ | FNTB | P49356 | 2/20 | 0.40 |
| ▸ | PGGT1B | P53609 | 2/20 | 0.40 |
| ▸ | P2RX3 | P56373 | 4/20 | 0.37 |
| ▸ | PIK3R1 | P27986 | 3/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.37 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL14570769 | 0.91 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19PRMT5WDR77 | |
| SCHEMBL5375295 | 0.88 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19PRMT5WDR77 | |
| SCHEMBL5365473 | 0.86 | CYP3A4 (0.63) | CYP3A4CYP2C9CYP2C19EPAS1 | |
| SCHEMBL5375470 | 0.82 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2C19PIK3R1PIK3CA | |
| SCHEMBL4809760 | 0.81 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2C19PRMT5WDR77 | |
| SCHEMBL5369098 | 0.79 | CYP3A4 (0.57) | CYP3A4CYP2C9CYP2C19P2RX3PIK3R1 | |
| SCHEMBL5370521 | 0.79 | CYP3A4 (0.67) | CYP3A4CYP2C9CYP2C19PRMT5WDR77 | |
| SCHEMBL14570768 | 0.79 | CYP3A4 (0.57) | CYP3A4CYP2C9CYP2C19PIK3R1PIK3CA | |
| SCHEMBL5419846 | 0.79 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19PIK3R1PIK3CA | |
| SCHEMBL5421566 | 0.79 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP2C19PIK3R1PIK3CA |
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 2 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 |