Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | PLOD2 | O00469 | 2/20 | 0.33 |
| ▸ | PLOD3 | O60568 | 2/20 | 0.33 |
| ▸ | PLOD1 | Q02809 | 2/20 | 0.33 |
| ▸ | KIF11 | P52732 | 3/20 | 0.32 |
| ▸ | KMO | O15229 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | F10 | P00742 | 2/20 | 0.31 |
| ▸ | F11 | P03951 | 2/20 | 0.31 |
| ▸ | F7 | P08709 | 2/20 | 0.31 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.31 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15760093 | 0.89 | CYP2C19 (0.35) | CYP2C19CYP3A4PLOD2PLOD3PLOD1 | |
| SCHEMBL45003 | 0.89 | F10 (0.39) | CYP2C19CYP3A4PLOD2PLOD3PLOD1 | |
| SCHEMBL15751977 | 0.83 | KDM4E (0.38) | CYP2C19CYP3A4MEN1ALDH1A1MAPT | |
| SCHEMBL45312 | 0.82 | F10 (0.47) | CYP2C19CYP3A4PLOD2PLOD3PLOD1 | |
| SCHEMBL41549 | 0.81 | KMO (0.52) | CYP2C19CYP3A4PLOD2PLOD3PLOD1 | |
| SCHEMBL45257 | 0.81 | PRMT5 (0.44) | CYP2C19PLOD2PLOD3PLOD1MEN1 | |
| SCHEMBL45781 | 0.81 | F10 (0.45) | CYP2C19CYP3A4PLOD2PLOD3PLOD1 | |
| SCHEMBL11026483 | 0.81 | F10 (0.45) | CYP2C19CYP3A4PLOD2PLOD3PLOD1 | |
| SCHEMBL45394 | 0.80 | PRKD1 (0.40) | CYP2C19CYP3A4PLOD2PLOD3PLOD1 | |
| SCHEMBL11025709 | 0.80 | F7 (0.44) | CYP2C19CYP3A4PLOD2PLOD3PLOD1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012001020-A1 | NOVEL TETRAHYDROQUINOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-05 | — | — | WO | disclosed |