Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CAMK2A | Q9UQM7 | 3/20 | 0.41 |
| ▸ | THRA | P10827 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.35 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | RXRG | P48443 | 1/20 | 0.34 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | MEP1B | Q16820 | 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 | |
|---|---|---|---|---|
| SCHEMBL1344613 | 0.94 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2C19CAMK2ATHRA | |
| SCHEMBL16175471 | 0.92 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19CAMK2ATHRA | |
| SCHEMBL3982722 | 0.92 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2C19CAMK2ATHRA | |
| SCHEMBL3976283 | 0.90 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19RORCMRGPRX4 | |
| SCHEMBL16175564 | 0.90 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19CAMK2ATHRA | |
| SCHEMBL16175554 | 0.86 | KCNH2 (0.41) | CYP3A4CYP2C9CYP2C19CAMK2ATHRA | |
| SCHEMBL16175717 | 0.85 | CYP3A4 (0.38) | CYP3A4CYP2C9CYP2C19CAMK2ATHRA | |
| SCHEMBL16175589 | 0.85 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2C19CAMK2ATHRA | |
| SCHEMBL1342509 | 0.85 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2C19RORCEPAS1 | |
| SCHEMBL1343826 | 0.85 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2C19RORCEPAS1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2057125-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. Hoffmann-Roche AG (CH) | 2009-05-13 | — | — | EP | disclosed |
| WO-2008019968-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-02-21 | — | — | WO | disclosed |