Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13707014 | 0.86 | CYP2C19 (0.52) | CYP2C19ALDH1A1HTTRXFP1PIK3CD | |
| SCHEMBL13707073 | 0.79 | CYP2C19 (0.54) | CYP2C19ALDH1A1HTTRXFP1PIK3CD | |
| SCHEMBL13706972 | 0.78 | GRM5 (0.41) | ALDH1A1KDM4ENPC1GRM5RAB9A | |
| SCHEMBL25717168 | 0.77 | CYP2C19 (1.00) | CYP2C19ALDH1A1HTTKDM4ENPC1 | |
| SCHEMBL13706911 | 0.75 | GRM5 (0.45) | CYP2C19ALDH1A1KDM4ENPC1GRM5 | |
| SCHEMBL4333936 | 0.75 | CYP2C19 (0.56) | CYP2C19ALDH1A1HTTKDM4ENPC1 | |
| SCHEMBL8284605 | 0.74 | CYP2C19 (0.54) | CYP2C19ALDH1A1HTTPIK3CDPIK3CA | |
| SCHEMBL13824424 | 0.74 | CYP2C19 (0.61) | CYP2C19ALDH1A1HTTKDM4ENPC1 | |
| SCHEMBL13707029 | 0.73 | CYP2C19 (0.50) | CYP2C19ALDH1A1HTTRXFP1PIK3CD | |
| SCHEMBL11644246 | 0.73 | CYP2C19 (0.60) | CYP2C19ALDH1A1HTTRXFP1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-7550482-B2 | Tetrahydroquinolones and their use as modulators of metabotropic glutamate receptors | MERZ PHARMA GMBH & CO. KGAA (DE) | 2009-06-23 | — | — | US | disclosed |