Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 5/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.39 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | MASP2 | O00187 | 1/20 | 0.38 |
| ▸ | HSPA1A | P0DMV8 | 1/20 | 0.38 |
| ▸ | CD44 | P16070 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | MSN | P26038 | 1/20 | 0.38 |
| ▸ | CDC25B | P30305 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2529481 | 0.85 | AR (0.54) | MEN1KMT2AALDH1A1KDM4EPOLB | |
| SCHEMBL2533418 | 0.76 | ALDH1A1 (0.44) | MEN1KMT2AALDH1A1GAAKDM4E | |
| SCHEMBL2530126 | 0.74 | ALDH1A1 (0.40) | MEN1KMT2AALDH1A1GAAKDM4E | |
| SCHEMBL2531835 | 0.73 | AR (0.46) | MEN1KMT2AALDH1A1GAAKDM4E | |
| SCHEMBL2527647 | 0.73 | AR (0.43) | MEN1KMT2AALDH1A1GAAKDM4E | |
| SCHEMBL2532998 | 0.69 | AR (0.41) | MEN1KMT2AALDH1A1GAAKDM4E | |
| SCHEMBL12219890 | 0.68 | KMO (0.43) | MEN1KMT2AALDH1A1GAAKDM4E | |
| SCHEMBL13923892 | 0.66 | KDM4E (0.44) | MEN1KMT2AALDH1A1GAAKDM4E | |
| SCHEMBL24068018 | 0.66 | ALOX5 (0.48) | MEN1KMT2AALDH1A1GAAKDM4E | |
| SCHEMBL4498296 | 0.66 | MEN1 (0.43) | MEN1KMT2AALDH1A1GAAKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2558449-B1 | NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2014-03-05 | — | — | EP | disclosed |
| 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 |