Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.80 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.80 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.80 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.39 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.38 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.35 |
| ▸ | HTR2A | P28223 | 3/20 | 0.35 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | PIK3R1 | P27986 | 2/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.33 |
| ▸ | EPAS1 | Q99814 | 3/20 | 0.32 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.32 |
| ▸ | BCAT1 | P54687 | 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 | |
|---|---|---|---|---|
| SCHEMBL4274657 | 0.92 | CYP3A4 (0.91) | CYP3A4CYP2C9CYP2C19SLC5A2KCNH2 | |
| SCHEMBL5370521 | 0.92 | CYP3A4 (0.67) | CYP3A4CYP2C9CYP2C19SLC5A2PRMT5 | |
| SCHEMBL5370387 | 0.90 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP2C19SLC5A2PRMT5 | |
| SCHEMBL4272969 | 0.89 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19SLC5A2KCNH2 | |
| SCHEMBL5368425 | 0.89 | CYP3A4 (0.86) | CYP3A4CYP2C9CYP2C19SLC5A2KCNH2 | |
| SCHEMBL5374302 | 0.89 | CYP3A4 (0.64) | CYP3A4CYP2C9CYP2C19SLC5A2PRMT5 | |
| SCHEMBL4274479 | 0.89 | CYP3A4 (0.86) | CYP3A4CYP2C9CYP2C19SLC5A2KCNH2 | |
| SCHEMBL5374165 | 0.87 | CYP3A4 (0.74) | CYP3A4CYP2C9CYP2C19SLC5A2KCNH2 | |
| SCHEMBL5368877 | 0.86 | CYP3A4 (0.70) | CYP3A4CYP2C9CYP2C19SLC5A2NPBWR1 | |
| SCHEMBL5344677 | 0.86 | CYP3A4 (0.81) | CYP3A4CYP2C9CYP2C19SLC5A2KCNH2 |
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 |