Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 1/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | FADS1 | O60427 | 1/20 | 0.57 |
| ▸ | EGFR | P00533 | 1/20 | 0.57 |
| ▸ | DNMT1 | P26358 | 4/20 | 0.57 |
| ▸ | DNMT3A | Q9Y6K1 | 3/20 | 0.57 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.57 |
| ▸ | ACHE | P22303 | 1/20 | 0.57 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.57 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.57 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.57 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.57 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.57 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.57 |
| ▸ | DNMT3L | Q9UJW3 | 1/20 | 0.57 |
| ▸ | GAK | O14976 | 1/20 | 0.54 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.54 |
| ▸ | COQ8A | Q8NI60 | 1/20 | 0.54 |
| ▸ | NLK | Q9UBE8 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL30420824 | 0.86 | ERBB2 (0.73) | ERBB2HTTFADS1EGFRDNMT1 | |
| SCHEMBL170830 | 0.86 | ERBB2 (0.73) | ERBB2HTTFADS1EGFRDNMT1 | |
| SCHEMBL5306062 | 0.83 | DNMT1 (0.68) | ERBB2HTTFADS1EGFRDNMT1 | |
| SCHEMBL6752938 | 0.82 | HTR1A (0.68) | ERBB2HTTFADS1EGFRDNMT1 | |
| SCHEMBL12217976 | 0.80 | HTT (0.68) | ERBB2HTTFADS1EGFRDNMT1 | |
| SCHEMBL4813919 | 0.80 | DNMT1 (0.73) | ERBB2HTTFADS1EGFRDNMT1 | |
| SCHEMBL12240670 | 0.80 | HTT (0.68) | ERBB2HTTFADS1EGFRDNMT1 | |
| SCHEMBL31197381 | 0.80 | ALK (0.72) | ERBB2HTTFADS1EGFRDNMT1 | |
| SCHEMBL15923366 | 0.80 | ALK (0.72) | ERBB2HTTFADS1EGFRDNMT1 | |
| SCHEMBL15673390 | 0.80 | ERBB2 (0.66) | ERBB2HTTFADS1EGFRDNMT1 |
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-2597955-A1 | QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME | OncoTherapy Science, Inc. (JP) | 2013-06-05 | — | — | EP | disclosed |
| WO-2012016082-A1 | QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME | ONCOTHERAPY SCIENCE, INC. (JP) | 2012-02-02 | — | — | WO | disclosed |