Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.38 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.38 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.37 |
| ▸ | FNTA | P49354 | 1/20 | 0.36 |
| ▸ | FNTB | P49356 | 1/20 | 0.36 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 4/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.34 |
| ▸ | MLNR | O43193 | 2/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.33 |
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 | 0.88 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19PRMT5WDR77 | |
| SCHEMBL5375576 | 0.86 | PARP1 (0.39) | CYP3A4CYP2C9CYP2C19FNTAFNTB | |
| SCHEMBL5377579 | 0.83 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP2C19PRMT5WDR77 | |
| SCHEMBL5377272 | 0.80 | PRMT5 (0.43) | CYP3A4CYP2C9CYP2C19PRMT5WDR77 | |
| SCHEMBL4370994 | 0.80 | P2RX3 (0.41) | CYP3A4CYP2C9CYP2C19PRMT5WDR77 | |
| SCHEMBL5375470 | 0.79 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2C19HTR2AKCNH2 | |
| SCHEMBL5364632 | 0.79 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19PRMT5WDR77 | |
| SCHEMBL5368522 | 0.78 | CYP3A4 (0.43) | CYP3A4PRMT5WDR77FNTAFNTB | |
| SCHEMBL5364936 | 0.77 | PRMT5 (0.40) | CYP3A4CYP2C9CYP2C19PRMT5WDR77 | |
| SCHEMBL4808827 | 0.77 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19PRMT5WDR77 |
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 1 patent. 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 |