Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.54 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.35 |
| ▸ | 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 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.33 |
| ▸ | ERBB4 | Q15303 | 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 | |
|---|---|---|---|---|
| SCHEMBL5381993 | 0.90 | CYP3A4 (0.47) | CYP3A4AKR1B1SLC6A4HTR2AKCNH2 | |
| SCHEMBL5365181 | 0.89 | CYP3A4 (0.67) | CYP3A4AKR1B1FNTAFNTBPGGT1B | |
| SCHEMBL4367667 | 0.88 | CYP3A4 (0.53) | CYP3A4AKR1B1THRATHRBCYP2C9 | |
| SCHEMBL5364926 | 0.87 | CYP3A4 (0.54) | CYP3A4FNTAFNTBPGGT1BSLC6A4 | |
| SCHEMBL5365245 | 0.87 | CYP3A4 (0.49) | CYP3A4FNTAFNTBPGGT1BPRMT5 | |
| SCHEMBL5376942 | 0.87 | CYP3A4 (0.54) | CYP3A4SLC6A4HTR2AKCNH2CYP2C9 | |
| SCHEMBL5385700 | 0.87 | CYP3A4 (0.54) | CYP3A4THRATHRBADORA2AADORA1 | |
| SCHEMBL5365375 | 0.86 | CYP3A4 (0.52) | CYP3A4AKR1B1SLC6A4HTR2AKCNH2 | |
| SCHEMBL5373776 | 0.85 | CYP3A4 (0.43) | CYP3A4AKR1B1THRATHRBCYP2C9 | |
| SCHEMBL5377579 | 0.84 | CYP3A4 (0.52) | 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 |