Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 2/20 | 0.43 |
| ▸ | ITGAV | P06756 | 2/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.37 |
| ▸ | PLK1 | P53350 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | VNN1 | O95497 | 2/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2576690 | 0.91 | ALDH1A1 (0.41) | ITGB3ITGAVITGA2BKDM4ECYP3A4 | |
| SCHEMBL2571267 | 0.86 | ITGB3 (0.43) | ITGB3ITGAVITGA2BKDM4ECYP3A4 | |
| SCHEMBL2574406 | 0.85 | ITGB3 (0.41) | ITGB3ITGAVITGA2BKDM4ECYP3A4 | |
| SCHEMBL2534286 | 0.84 | IRAK4 (0.40) | KDM4EMAPTRAB9AESR1PABPC1 | |
| SCHEMBL15495131 | 0.82 | ALDH1A1 (0.35) | KDM4EMAPTRAB9AESR1PABPC1 | |
| SCHEMBL2529037 | 0.79 | ALDH1A1 (0.32) | KDM4EMAPTCYP2C19RAB9AESR1 | |
| SCHEMBL2533782 | 0.78 | NEU3 (0.38) | KDM4EMAPTALDH1A1POLBKMT2A | |
| SCHEMBL2535888 | 0.78 | SIRT2 (0.34) | KDM4EMAPTRAB9AESR1PABPC1 | |
| SCHEMBL2532897 | 0.78 | GCK (0.38) | KDM4ECYP3A4CYP1A2MAPTHDAC3 | |
| SCHEMBL2578929 | 0.77 | VNN1 (0.38) | ITGB3ITGAVITGA2BKDM4ECYP3A4 |
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 |