Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14087700 | 0.81 | KDM4E (0.42) | ALDH1A1HTTTSHRGRM5KDM4E | |
| SCHEMBL4433648 | 0.79 | CYP2C19 (0.51) | ALDH1A1HTTMAOAMAOBTSHR | |
| SCHEMBL14087604 | 0.69 | ALDH1A1 (0.61) | ALDH1A1HTTMAOAMAOBGRM5 | |
| SCHEMBL20105204 | 0.68 | NUDT1 (0.38) | ALDH1A1HTTKDM4EGAAHPGD | |
| SCHEMBL17254681 | 0.68 | NUDT1 (0.38) | ALDH1A1HTTKDM4EGAAHPGD | |
| SCHEMBL8284555 | 0.68 | ALDH1A1 (0.48) | ALDH1A1HTTMAOAMAOBGRM5 | |
| SCHEMBL4421502 | 0.67 | POLB (0.57) | ALDH1A1HTTMAOAMAOBGRM5 | |
| SCHEMBL8284803 | 0.66 | ALDH1A1 (0.55) | ALDH1A1HTTCYP2C19GAAHPGD | |
| SCHEMBL4433042 | 0.65 | ALDH1A1 (0.52) | ALDH1A1HTTMAOBTSHRGRM5 | |
| Hydrochloric Acid SCHEMBL4432944 | 0.65 | POLB (0.54) | ALDH1A1HTTKDM4EGAA |
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-1723116-B1 | TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS | MERZ PHARMA GMBH & CO KGAA (DE) | 2008-09-24 | — | — | EP | disclosed |
| WO-2005082856-A2 | TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2005-09-09 | — | — | WO | disclosed |