Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.34 |
| ▸ | VEGFA | P15692 | 2/20 | 0.34 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.34 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.34 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.33 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL4754790 | 0.90 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19KCNH2RORC | |
| SCHEMBL3220100 | 0.88 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19KCNH2RORC | |
| SCHEMBL1343826 | 0.87 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2C19KCNH2RORC | |
| SCHEMBL1344613 | 0.87 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2C19KCNH2RORC | |
| SCHEMBL2638669 | 0.85 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19RORCALDH1A1 | |
| SCHEMBL4752685 | 0.84 | MEP1B (0.38) | CYP3A4CYP2C9CYP2C19ALDH1A1MAPT | |
| SCHEMBL13586458 | 0.83 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19KCNH2RORC | |
| SCHEMBL13983342 | 0.82 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19KCNH2RORC | |
| SCHEMBL3022570 | 0.82 | CYP3A4 (0.59) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL3914677 | 0.82 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19KCNH2RORC |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008157330-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-12-24 | — | — | WO | disclosed |
| WO-2008157330-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-12-24 | — | — | WO | disclosed |
| WO-2008157273-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-12-24 | — | — | WO | disclosed |
| WO-2008157273-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-12-24 | — | — | WO | disclosed |