Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.41 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.41 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL168005 | 0.86 | SLC6A2 (0.53) | BCAT2SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL31213435 | 0.86 | SLC6A2 (0.53) | BCAT2SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL12433976 | 0.85 | FOLH1 (0.54) | SLC6A2SLC6A4SLC6A3LTB4R2CYP3A4 | |
| SCHEMBL12433974 | 0.83 | MEN1 (0.57) | SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4 | |
| SCHEMBL528444 | 0.82 | BCAT2 (0.55) | BCAT2SLC6A3LTB4R2CYP3A4ALDH1A1 | |
| SCHEMBL6176903 | 0.81 | TRPV1 (0.43) | BCAT2SLC6A2SLC6A4SLC6A3LTB4R2 | |
| SCHEMBL2242560 | 0.79 | BCAT2 (0.55) | BCAT2ALDH1A1KDM4EHPGDKEAP1 | |
| SCHEMBL28158460 | 0.78 | CYP1A2 (0.43) | SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4 | |
| SCHEMBL28339942 | 0.78 | BCAT2 (0.50) | BCAT2SLC6A3LTB4R2CYP3A4ALDH1A1 | |
| SCHEMBL210767 | 0.78 | BCAT2 (0.74) | BCAT2CYP3A4ALDH1A1KDM4ECYP2C19 |
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-1472216-A2 | NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE | Axys Pharmaceuticals (US) | 2004-11-03 | — | — | EP | disclosed |
| WO-2003066579-A2 | NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE | AXYS PHARMACEUTICALS (US) | 2003-08-14 | — | — | WO | disclosed |