Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.51 |
| ▸ | MET | P08581 | 1/20 | 0.51 |
| ▸ | APP | P05067 | 2/20 | 0.49 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.49 |
| ▸ | FADS1 | O60427 | 1/20 | 0.49 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.47 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14024396 | 1.00 | CYP2D6 (0.52) | CYP2D6CYP1A2MAPTGAAATM | |
| SCHEMBL4748773 | 0.95 | GAA (0.59) | CYP2D6CYP1A2MAPTGAAATM | |
| SCHEMBL4748784 | 0.90 | CYP2D6 (0.52) | CYP2D6CYP1A2MAPTGAAATM | |
| SCHEMBL14024471 | 0.90 | APP (0.46) | CYP2D6CYP1A2MAPTGAAATM | |
| SCHEMBL14024382 | 0.89 | MAPT (0.60) | CYP2D6CYP1A2MAPTGAAATM | |
| SCHEMBL4748932 | 0.89 | MAPT (0.60) | CYP2D6CYP1A2MAPTGAAATM | |
| SCHEMBL4748929 | 0.89 | MAPT (0.60) | CYP2D6CYP1A2MAPTGAAATM | |
| SCHEMBL14024410 | 0.85 | GAA (0.59) | CYP2D6CYP1A2MAPTGAAATM | |
| SCHEMBL30383538 | 0.85 | GAA (0.59) | CYP2D6CYP1A2MAPTGAAATM | |
| SCHEMBL4748776 | 0.83 | GAA (0.56) | CYP2D6CYP1A2MAPTGAAATM |
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 |