Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.39 |
| ▸ | ITGAV | P06756 | 2/20 | 0.39 |
| ▸ | PLOD2 | O00469 | 2/20 | 0.39 |
| ▸ | PLOD3 | O60568 | 2/20 | 0.39 |
| ▸ | PLOD1 | Q02809 | 2/20 | 0.39 |
| ▸ | KMO | O15229 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 5/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL2532913 | 0.90 | PLOD2 (0.36) | CYP2C19ITGB3ITGAVPLOD2PLOD3 | |
| SCHEMBL2530141 | 0.87 | KMO (0.52) | CYP2C19ITGB3ITGAVKMOKIF11 | |
| SCHEMBL14331261 | 0.84 | KMO (0.43) | CYP2C19PLOD2PLOD3PLOD1KMO | |
| SCHEMBL2533631 | 0.84 | CYP2C19 (0.40) | CYP2C19ITGB3ITGAVKMOKIF11 | |
| SCHEMBL2532337 | 0.82 | SIRT2 (0.44) | CYP2C19MAPTALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL2535032 | 0.82 | MAPT (0.38) | CYP2C19PLOD2PLOD3PLOD1KMO | |
| SCHEMBL2533764 | 0.82 | MAPT (0.39) | CYP2C19KMOKIF11MAPTALDH1A1 | |
| SCHEMBL12219922 | 0.81 | POLB (0.37) | CYP2C19PLOD2PLOD3PLOD1KMO | |
| SCHEMBL2530127 | 0.80 | MAPT (0.38) | CYP2C19KMOKIF11MAPTALDH1A1 | |
| SCHEMBL15495154 | 0.80 | CYP2C19 (0.40) | CYP2C19KMOKIF11MAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2558449-A1 | NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2013-02-20 | — | — | EP | claimed |
| WO-2011128251-A1 | NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-20 | — | — | WO | claimed |
| EP-2558449-A1 | NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2013-02-20 | — | — | EP | disclosed |
| WO-2011128251-A1 | NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-20 | — | — | WO | disclosed |