Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 9/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.58 |
| ▸ | GAA | P10253 | 3/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | APP | P05067 | 2/20 | 0.58 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.58 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.57 |
| ▸ | PTK6 | Q13882 | 1/20 | 0.57 |
| ▸ | FADS1 | O60427 | 1/20 | 0.56 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.54 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.54 |
| ▸ | GAK | O14976 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | CYP2C8 | P10632 | 6/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL21346925 | 0.89 | CYP1A2 (0.66) | CYP2D6CYP1A2GAAMAPTATM | |
| SCHEMBL4751730 | 0.86 | MAPT (0.70) | CYP2D6CYP1A2GAAMAPTATM | |
| Metaquine SCHEMBL7205743 | 0.85 | FADS1 (0.71) | CYP2D6CYP1A2GAAMAPTATM | |
| SCHEMBL29200469 | 0.83 | GAK (0.55) | ERBB2PTK6DNMT1DNMT3AGAK | |
| SCHEMBL14024396 | 0.82 | CYP2D6 (0.52) | CYP2D6CYP1A2GAAMAPTATM | |
| SCHEMBL4748788 | 0.82 | CYP2D6 (0.52) | CYP2D6CYP1A2GAAMAPTATM | |
| SCHEMBL2011565 | 0.81 | GAA (0.73) | CYP2D6CYP1A2GAAMAPTATM | |
| SCHEMBL30179800 | 0.81 | GAA (0.73) | CYP2D6CYP1A2GAAMAPTATM | |
| SCHEMBL2011014 | 0.80 | CYP1A2 (0.67) | CYP2D6CYP1A2GAAMAPTATM | |
| SCHEMBL2015985 | 0.80 | GAK (0.63) | CYP2D6CYP1A2GAAMAPTATM |
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 |