Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | PPARA | Q07869 | 3/20 | 0.38 |
| ▸ | GCK | P35557 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.34 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | FBP1 | P09467 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7980965 | 0.88 | ALDH1A1 (0.43) | ALDH1A1PPARACYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL1417420 | 0.87 | ADORA2A (0.42) | ALDH1A1PPARACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7973952 | 0.83 | PPARA (0.51) | ALDH1A1PPARACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL12670848 | 0.81 | AR (0.41) | CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL1417538 | 0.80 | ALDH1A1 (0.49) | ALDH1A1PPARACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7987569 | 0.78 | ALDH1A1 (0.47) | ALDH1A1PPARACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7994910 | 0.78 | CNR1 (0.48) | ALDH1A1PPARAADORA2AKMT2AKDM4E | |
| SCHEMBL1712071 | 0.77 | PPARA (0.57) | PPARACYP1A2CYP3A4FBP1 | |
| SCHEMBL7974279 | 0.76 | CNR1 (0.43) | ALDH1A1PPARACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7983811 | 0.76 | EPHX2 (0.50) | ALDH1A1PPARACYP1A2CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010001946-A1 | TRIAZOLE DERIVATIVE OR SALT THEREOF | アステラス製薬株式会社 (JP) | 2010-01-07 | — | — | WO | disclosed |