Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MASP2 | O00187 | 1/20 | 0.31 |
| ▸ | HSPA1A | P0DMV8 | 1/20 | 0.31 |
| ▸ | CD44 | P16070 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | MSN | P26038 | 1/20 | 0.31 |
| ▸ | CDC25B | P30305 | 1/20 | 0.31 |
| ▸ | AKT1 | P31749 | 1/20 | 0.31 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.31 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.31 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2534264 | 0.80 | DYRK2 (0.41) | MEN1KMT2AALDH1A1POLBGAA | |
| SCHEMBL15495131 | 0.78 | ALDH1A1 (0.35) | MEN1KMT2AALDH1A1POLBGAA | |
| SCHEMBL2530126 | 0.78 | ALDH1A1 (0.40) | MEN1KMT2AALDH1A1POLBGAA | |
| SCHEMBL2532897 | 0.76 | GCK (0.38) | MEN1KMT2AALDH1A1GAAMAPT | |
| SCHEMBL2533782 | 0.75 | NEU3 (0.38) | MEN1KMT2AALDH1A1POLBGAA | |
| SCHEMBL12219890 | 0.75 | KMO (0.43) | MEN1KMT2AALDH1A1POLBGAA | |
| SCHEMBL2535888 | 0.74 | SIRT2 (0.34) | MEN1KMT2AALDH1A1POLBGAA | |
| SCHEMBL2529037 | 0.74 | ALDH1A1 (0.32) | MEN1KMT2AALDH1A1POLBGAA | |
| SCHEMBL2574768 | 0.74 | MAPT (0.40) | MEN1KMT2AALDH1A1GAAL3MBTL1 | |
| SCHEMBL2532334 | 0.73 | KDM4E (0.41) | MEN1KMT2AALDH1A1POLBGAA |
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 |