Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 5/20 | 0.45 |
| ▸ | HSD17B2 | P37059 | 5/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | FYN | P06241 | 2/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | MIF | P14174 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4420091 | 0.94 | BRD4 (0.39) | HSD17B1HSD17B2CYP3A4CYP2C9FYN | |
| SCHEMBL4433048 | 0.92 | HSD17B1 (0.53) | HSD17B1HSD17B2CYP3A4CYP2C9BRD4 | |
| SCHEMBL4686183 | 0.91 | HSD17B1 (0.40) | HSD17B1HSD17B2CYP3A4CYP2C9FYN | |
| SCHEMBL4419454 | 0.86 | CYP1A1 (0.36) | CYP3A4CYP2C9HDAC1HDAC6MAPT | |
| SCHEMBL4428642 | 0.82 | GRM5 (0.47) | HSD17B1HSD17B2CYP3A4CYP2C9DHODH | |
| SCHEMBL4423811 | 0.81 | KDM1A (0.37) | CYP3A4DHODHTP53MAPTNPC1 | |
| SCHEMBL13706977 | 0.81 | GRM5 (0.45) | HDAC6TP53MAPTNPC1ALDH1A1 | |
| SCHEMBL4429557 | 0.80 | PRKDC (0.37) | HSD17B1HSD17B2CYP3A4CYP2C9BRD4 | |
| SCHEMBL4418695 | 0.80 | GRM5 (0.47) | HSD17B1HSD17B2CYP3A4CYP2C9PDE4B | |
| SCHEMBL4426626 | 0.80 | GRM5 (0.47) | HSD17B1HSD17B2CYP3A4CYP2C9NPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1943247-A1 | TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | Merz Pharma GmbH & Co.KGaA (DE) | 2008-07-16 | — | — | EP | disclosed |
| WO-2007023245-A1 | TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2007-03-01 | — | — | WO | disclosed |