Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 3/20 | 0.33 |
| ▸ | NOS1 | P29475 | 3/20 | 0.33 |
| ▸ | NOS2 | P35228 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL188906 | 0.84 | CHRNB2 (0.38) | ALDH1A1CYP3A4TDP1MAPK1ALOX15 | |
| SCHEMBL10915673 | 0.79 | PYCR1 (0.44) | KMT2AMEN1 | |
| SCHEMBL14003539 | 0.79 | AOC3 (0.42) | ALDH1A1CYP3A4TDP1MAPK1ALOX15 | |
| SCHEMBL864654 | 0.79 | AOC3 (0.42) | ALDH1A1CYP3A4TDP1MAPK1ALOX15 | |
| SCHEMBL817422 | 0.78 | KDM4E (0.52) | ALDH1A1TDP1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL1206432 | 0.78 | KDM4E (0.52) | ALDH1A1TDP1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL1205734 | 0.78 | KDM4E (0.52) | ALDH1A1TDP1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL11488424 | 0.75 | GRIA4 (0.41) | ALDH1A1CYP3A4TDP1MAPK1ALOX15 | |
| SCHEMBL529767 | 0.72 | TSHR (0.51) | ALDH1A1CYP3A4TDP1MAPK1L3MBTL1 | |
| SCHEMBL3872917 | 0.72 | ALDH1A1 (0.31) | ALDH1A1CYP3A4ALOX15CA3THRB |
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 |