Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 1/20 | 0.81 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.81 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | MIF | P14174 | 1/20 | 0.35 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30618192 | 0.90 | GABBR2 (1.00) | GABBR2GABBR1HSP90AA1 | |
| SCHEMBL2371840 | 0.90 | GABBR2 (1.00) | GABBR2GABBR1HSP90AA1 | |
| SCHEMBL2371842 | 0.90 | GABBR2 (1.00) | GABBR2GABBR1HSP90AA1 | |
| SCHEMBL2371847 | 0.90 | GABBR2 (1.00) | GABBR2GABBR1HSP90AA1 | |
| SCHEMBL2829763 | 0.83 | GABBR2 (0.62) | GABBR2GABBR1ALDH1A1ALOX15HSD17B10 | |
| SCHEMBL2875028 | 0.81 | GABBR2 (0.58) | GABBR2GABBR1ALDH1A1ALOX15HSD17B10 | |
| SCHEMBL2834138 | 0.79 | GABBR2 (0.56) | GABBR2GABBR1ALDH1A1ALOX15HSD17B10 | |
| SCHEMBL2829152 | 0.77 | GABBR2 (0.74) | GABBR2GABBR1ALDH1A1CYP2C9TYR | |
| SCHEMBL2829154 | 0.77 | GABBR2 (0.74) | GABBR2GABBR1ALDH1A1CYP2C9TYR | |
| SCHEMBL2829157 | 0.77 | GABBR2 (0.74) | GABBR2GABBR1ALDH1A1CYP2C9TYR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1915357-B1 | 2-HYDROXY-PROPIONIC ACID DERIVATIVES AND 3-HYDROXY-BENZOFURAN-2-ONE DERIVATIVES WITH AFFINITY FOR THE GABA-B-RECEPTOR | HOFFMANN LA ROCHE (CH) | 2010-09-08 | — | — | EP | disclosed |