Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.60 |
| ▸ | GAA | P10253 | 2/20 | 0.60 |
| ▸ | ATM | Q13315 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.54 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | EGFR | P00533 | 2/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.48 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4748929 | 1.00 | MAPT (0.60) | MAPTGAAATMCYP2D6CYP1A2 | |
| SCHEMBL14024382 | 1.00 | MAPT (0.60) | MAPTGAAATMCYP2D6CYP1A2 | |
| SCHEMBL4748772 | 0.94 | GAA (0.56) | MAPTGAAATMCYP2D6CYP1A2 | |
| SCHEMBL14024383 | 0.94 | GAA (0.56) | MAPTGAAATMCYP2D6CYP1A2 | |
| SCHEMBL4748776 | 0.94 | GAA (0.56) | MAPTGAAATMCYP2D6CYP1A2 | |
| Citric Acid SCHEMBL25210605 | 0.89 | GAA (0.48) | MAPTGAAATMCYP2D6CYP1A2 | |
| SCHEMBL4748784 | 0.89 | CYP2D6 (0.52) | MAPTGAAATMCYP2D6CYP1A2 | |
| SCHEMBL14024396 | 0.89 | CYP2D6 (0.52) | MAPTGAAATMCYP2D6CYP1A2 | |
| SCHEMBL4748788 | 0.89 | CYP2D6 (0.52) | MAPTGAAATMCYP2D6CYP1A2 | |
| SCHEMBL4752430 | 0.88 | MAPT (0.59) | MAPTGAAATMCYP2D6CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008135886-A2 | QUINOLINE DERIVATIVES FOR USE IN THE INHIBITION OF THE GROWTH OF TUMOUR CELLS | UNIVERSITY OF PRETORIA (ZA) | 2008-11-13 | — | — | WO | disclosed |