Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELOVL1 | Q9BW60 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.35 |
| ▸ | SMO | Q99835 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | CCKAR | P32238 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3970363 | 0.86 | DHFR (0.38) | ELOVL1IDO1TDO2IDO2SMO | |
| SCHEMBL3962203 | 0.85 | ELOVL1 (0.39) | ELOVL1IDO1TDO2IDO2SMO | |
| SCHEMBL3970169 | 0.85 | MAPK14 (0.41) | CCKARMAPTMEN1CYP3A4CYP2D6 | |
| SCHEMBL3969490 | 0.85 | KCNH2 (0.41) | SMOKCNH2HRH3MAPT | |
| SCHEMBL3963734 | 0.84 | DRD2 (0.45) | ELOVL1IDO1TDO2IDO2KCNH2 | |
| SCHEMBL3964828 | 0.84 | KCNH2 (0.43) | ELOVL1IDO1TDO2IDO2KCNH2 | |
| SCHEMBL4198373 | 0.83 | KCNH2 (0.39) | ELOVL1KCNH2HRH3 | |
| SCHEMBL3966727 | 0.82 | PIK3CD (0.40) | ELOVL1IDO1TDO2IDO2KCNH2 | |
| SCHEMBL3966950 | 0.82 | IDO1 (0.35) | IDO1TDO2IDO2SMOMAPT | |
| SCHEMBL3970359 | 0.81 | ELOVL1 (0.46) | ELOVL1IDO1TDO2IDO2KCNH2 |
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-2009041904-A1 | QUINOLINE COMPOUNDS HAVING AN ACTIVITY AGAINST THE GABAB RECEPTOR | ASTRAZENECA AB (SE) | 2009-04-02 | — | — | WO | disclosed |