Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | GRM5 | P41594 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL4421435 | 0.85 | CYP2C19 (0.55) | CYP2C19ALDH1A1HTTNPC1RAB9A | |
| Hydrochloric Acid SCHEMBL4424652 | 0.83 | CYP2C19 (0.54) | CYP2C19ALDH1A1HTTNPC1RAB9A | |
| SCHEMBL4426163 | 0.82 | CYP2C19 (0.52) | CYP2C19ALDH1A1HTTMAOAMAOB | |
| Hydrochloric Acid SCHEMBL4432540 | 0.81 | CYP2C19 (0.51) | CYP2C19ALDH1A1HTTMAOAMAOB | |
| SCHEMBL4423838 | 0.81 | CYP2C19 (0.38) | CYP2C19ALDH1A1HTTNPC1RAB9A | |
| SCHEMBL14087697 | 0.77 | CYP2C19 (0.46) | CYP2C19ALDH1A1HTTNPC1RAB9A | |
| SCHEMBL4426496 | 0.76 | GRM5 (0.44) | HTTNPC1RAB9AMAOAMAOB | |
| SCHEMBL4423630 | 0.75 | CYP2C19 (0.54) | CYP2C19ALDH1A1HTTMAOAMAOB | |
| SCHEMBL25717168 | 0.74 | CYP2C19 (1.00) | CYP2C19ALDH1A1HTTNPC1RAB9A | |
| Hydrochloric Acid SCHEMBL4433084 | 0.74 | CYP2C19 (0.52) | CYP2C19ALDH1A1HTTMAOAMAOB |
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 | claimed |
| EP-1723116-B1 | TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS | MERZ PHARMA GMBH & CO KGAA (DE) | 2008-09-24 | — | — | EP | disclosed |