Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.36 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.35 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.35 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.35 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.35 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.35 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.35 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.35 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.35 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2533068 | 0.88 | PPARG (0.46) | HCAR3MEN1KMT2APPARGNR1H4 | |
| SCHEMBL2574768 | 0.87 | MAPT (0.40) | KDM4EGAAHSD17B10MAPTALDH1A1 | |
| SCHEMBL2577051 | 0.86 | ALDH1A1 (0.40) | KDM4EGAAHSD17B10MAPTALDH1A1 | |
| SCHEMBL2574359 | 0.84 | PRKAG1 (0.38) | ALDH1A1PRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL2529499 | 0.84 | CYP26A1 (0.36) | KDM4EGAAALDH1A1PRKAB2PRKAG1 | |
| SCHEMBL2529993 | 0.84 | TSHR (0.39) | KDM4EALDH1A1PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL2533360 | 0.84 | PTK2B (0.43) | KDM4EMAPTALDH1A1PTK2BMEN1 | |
| SCHEMBL2532031 | 0.83 | PPARG (0.38) | KDM4EGAAMAPTKMT2APPARG | |
| SCHEMBL2574754 | 0.83 | HCAR3 (0.35) | GAAALDH1A1HCAR3PRKAB2PRKAG1 | |
| SCHEMBL2573957 | 0.83 | IDH1 (0.38) | KDM4EGAAMAPTMEN1KMT2A |
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-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 |