Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA5 | P31644 | 6/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.42 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.42 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.42 |
| ▸ | FPR3 | P25089 | 1/20 | 0.40 |
| ▸ | FPR2 | P25090 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4790252 | 0.85 | GABRA5 (0.49) | GABRA5ALDH1A1 | |
| SCHEMBL5744413 | 0.85 | GABRA5 (0.49) | GABRA5ALDH1A1PKMMEN1KMT2A | |
| SCHEMBL4723502 | 0.84 | ALDH1A1 (0.56) | GABRA5TDP1ALDH1A1NPSR1PKM | |
| SCHEMBL4971798 | 0.83 | ALDH1A1 (0.52) | GABRA5TDP1ALDH1A1CACNA1FABCB1 | |
| SCHEMBL14790148 | 0.81 | GABRA5 (0.50) | GABRA5TDP1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6987 | 0.81 | GABRA5 (0.50) | GABRA5TDP1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL22230645 | 0.80 | GABRA5 (0.49) | GABRA5TDP1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL27886974 | 0.78 | GABRA5 (0.48) | GABRA5TDP1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL2829680 | 0.78 | CACNA1F (0.46) | GABRA5TDP1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL24555946 | 0.77 | GABRA5 (0.56) | GABRA5TDP1ALDH1A1CACNA1FABCB1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1968973-A2 | ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2008-09-17 | — | — | EP | disclosed |
| EP-1948648-A2 | 3-ARYL-ISOXAZOLE-4-CARBONYL-BENZOFURAN DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2008-07-30 | — | — | EP | disclosed |
| WO-2007074078-A2 | ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-07-05 | — | — | WO | disclosed |
| WO-2007054444-A2 | 3-ARYL-ISOXAZOLE-4-CARBONYL-BENZOFURAN DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-05-18 | — | — | WO | disclosed |