Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.47 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | KHK | P50053 | 1/20 | 0.43 |
| ▸ | MELK | Q14680 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16477242 | 0.81 | HTR4 (0.46) | SIGMAR1HSP90AA1HSP90AB1CA1CA2 | |
| SCHEMBL5752131 | 0.74 | SIGMAR1 (0.53) | SIGMAR1CA1CA2CA9KHK | |
| SCHEMBL7672095 | 0.72 | SIGMAR1 (0.53) | SIGMAR1CA1CA2CA9KHK | |
| SCHEMBL7788377 | 0.72 | CASP6 (0.51) | HSP90AA1HSP90AB1CA1CA2CA9 | |
| SCHEMBL5159903 | 0.72 | LMNA (0.44) | MEN1KMT2AALDH1A1HSD17B10L3MBTL1 | |
| SCHEMBL5159107 | 0.71 | IDO1 (0.42) | SIGMAR1CYP2D6CYP1A2MEN1KMT2A | |
| SCHEMBL8304884 | 0.70 | CYP3A4 (0.63) | SIGMAR1CA1CA2CA9KHK | |
| SCHEMBL9892421 | 0.70 | KHK (0.40) | SIGMAR1CA1CA2CA9KHK | |
| SCHEMBL16335399 | 0.70 | ALDH1A1 (0.46) | SIGMAR1HSP90AA1HSP90AB1MEN1KMT2A | |
| SCHEMBL453843 | 0.66 | IL1B (0.43) | HSP90AA1MEN1KMT2AALDH1A1HSD17B10 |
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 |