Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 7/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | APP | P05067 | 2/20 | 0.49 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.49 |
| ▸ | MAOB | P27338 | 2/20 | 0.49 |
| ▸ | FADS1 | O60427 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.46 |
| ▸ | CYP2C8 | P10632 | 4/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14024410 | 0.95 | GAA (0.59) | CYP2D6CYP1A2GAAMAPTATM | |
| SCHEMBL30383538 | 0.95 | GAA (0.59) | CYP2D6CYP1A2GAAMAPTATM | |
| SCHEMBL14024387 | 0.92 | CYP3A4 (0.52) | CYP2D6CYP1A2GAAMAPTATM | |
| SCHEMBL14024396 | 0.90 | CYP2D6 (0.52) | CYP2D6CYP1A2GAAMAPTATM | |
| SCHEMBL4748788 | 0.90 | CYP2D6 (0.52) | CYP2D6CYP1A2GAAMAPTATM | |
| SCHEMBL14024382 | 0.89 | MAPT (0.60) | CYP2D6CYP1A2GAAMAPTATM | |
| SCHEMBL4748932 | 0.89 | MAPT (0.60) | CYP2D6CYP1A2GAAMAPTATM | |
| SCHEMBL4748929 | 0.89 | MAPT (0.60) | CYP2D6CYP1A2GAAMAPTATM | |
| SCHEMBL14024514 | 0.87 | CXCL12 (0.52) | CYP2D6CYP1A2GAAAPPNR4A2 | |
| SCHEMBL4748773 | 0.85 | GAA (0.59) | 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 |