Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.45 |
| ▸ | RELA | Q04206 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 5/20 | 0.43 |
| ▸ | CCNC | P24863 | 1/20 | 0.43 |
| ▸ | CDK8 | P49336 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | TYR | P14679 | 1/20 | 0.37 |
| ▸ | EIF4A1 | P60842 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL529732 | 0.91 | HTT (0.44) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL529341 | 0.83 | CYP1A2 (0.46) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL528924 | 0.82 | HTT (0.40) | SMN1; SMN2GAAHTTCCNCCDK8 | |
| SCHEMBL8413790 | 0.80 | RARB (0.44) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL7850047 | 0.79 | TLR7 (0.43) | SMN1; SMN2GAALMNAALDH1A1MAPK1 | |
| SCHEMBL529735 | 0.78 | HTT (0.42) | SMN1; SMN2GAAHTTCCNCCDK8 | |
| SCHEMBL27448960 | 0.76 | HTT (0.38) | GAAHTTTSHRLMNAALDH1A1 | |
| SCHEMBL529947 | 0.75 | HTT (0.39) | SMN1; SMN2GAAHTTCCNCCDK8 | |
| SCHEMBL6529277 | 0.75 | TLR7 (0.48) | SMN1; SMN2GAALMNAALDH1A1ATM | |
| SCHEMBL529322 | 0.74 | CYP1A2 (0.48) | NPC1SMN1; SMN2GAAHTTCCNC |
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 |