Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 1.00 |
| ▸ | HTT | P42858 | 3/20 | 1.00 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 1.00 |
| ▸ | HPGD | P15428 | 2/20 | 1.00 |
| ▸ | MAPT | P10636 | 3/20 | 0.75 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.75 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | NR1H2 | P55055 | 4/20 | 0.54 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.48 |
| ▸ | TACR1 | P25103 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | VNN1 | O95497 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2820932 | 0.87 | ALDH1A1 (0.82) | ALDH1A1HTTNPSR1HPGDMAPT | |
| SCHEMBL28249839 | 0.82 | SMN1; SMN2 (0.74) | ALDH1A1HTTNPSR1HPGDMAPT | |
| SCHEMBL1125721 | 0.82 | NR1H2 (0.83) | ALDH1A1HTTNPSR1HPGDMAPT | |
| SCHEMBL31346746 | 0.81 | ALDH1A1 (0.82) | ALDH1A1HTTNPSR1HPGDMAPT | |
| SCHEMBL31346749 | 0.81 | ALDH1A1 (0.82) | ALDH1A1HTTNPSR1HPGDMAPT | |
| SCHEMBL31346744 | 0.78 | HTT (0.76) | ALDH1A1HTTNPSR1HPGDMAPT | |
| SCHEMBL2820921 | 0.78 | ALDH1A1 (0.76) | ALDH1A1HTTNPSR1HPGDMAPT | |
| SCHEMBL31346748 | 0.78 | ALDH1A1 (1.00) | ALDH1A1HTTNPSR1HPGDMAPT | |
| SCHEMBL31346747 | 0.78 | ALDH1A1 (1.00) | ALDH1A1HTTNPSR1HPGDMAPT | |
| SCHEMBL2821615 | 0.78 | ALDH1A1 (0.75) | ALDH1A1HTTNPSR1HPGDMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1809605-B1 | QUINOLINES AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS | HOFFMANN LA ROCHE (CH) | 2010-08-11 | — | — | EP | claimed |