Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.45 |
| ▸ | TDP2 | O95551 | 2/20 | 0.37 |
| ▸ | GRM5 | P41594 | 2/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.34 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL8283777 | 0.77 | CYP1A2 (0.50) | CYP1A2CYP11B1CYP11B2GRM5CYP2C19 | |
| SCHEMBL7505292 | 0.69 | CYP11B1 (0.83) | CYP1A2CYP11B1CYP11B2TDP2CYP2C19 | |
| SCHEMBL13824564 | 0.68 | ALDH1A1 (0.45) | CYP1A2CYP11B1CYP11B2CYP2C19CYP3A4 | |
| SCHEMBL13706992 | 0.68 | PARP1 (0.43) | CYP1A2CYP11B1CYP11B2GRM5 | |
| SCHEMBL4433682 | 0.67 | PRKDC (0.45) | CYP1A2CYP11B1CYP11B2GRM5MKNK1 | |
| SCHEMBL13706983 | 0.67 | USP2 (0.39) | CYP1A2CYP11B1CYP11B2GRM5ALDH1A1 | |
| SCHEMBL4431180 | 0.67 | MKNK1 (0.48) | CYP1A2CYP11B1CYP11B2CYP3A4MKNK1 | |
| SCHEMBL4421793 | 0.67 | GRM5 (0.46) | CYP1A2CYP11B1CYP11B2GRM5CA1 | |
| SCHEMBL13707026 | 0.67 | CYP2C19 (0.43) | CYP1A2CYP11B1CYP11B2GRM5CYP2C19 | |
| SCHEMBL27125699 | 0.67 | CYP11B1 (0.65) | CYP1A2CYP11B1CYP11B2TDP2CYP2C19 |
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-1723116-B1 | TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS | MERZ PHARMA GMBH & CO KGAA (DE) | 2008-09-24 | — | — | EP | claimed |