Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | PPARG | P37231 | 2/20 | 0.46 |
| ▸ | PPARD | Q03181 | 2/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | XDH | P47989 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 7/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 7/20 | 0.44 |
| ▸ | CNR2 | P34972 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | CNR1 | P21554 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4452326 | 0.88 | XDH (0.48) | ALDH1A1PPARGPPARDPPARAXDH | |
| SCHEMBL10634220 | 0.87 | ALDH1A1 (0.37) | ALDH1A1PPARGPPARDPPARAXDH | |
| SCHEMBL12802185 | 0.84 | ALDH1A1 (0.48) | ALDH1A1PPARGPPARDPPARAXDH | |
| SCHEMBL7567997 | 0.79 | XDH (0.63) | ALDH1A1PPARGPPARDPPARAXDH | |
| SCHEMBL2863264 | 0.79 | TRPA1 (0.44) | ALDH1A1MAPTCYP1A2HPGDSMN1; SMN2 | |
| SCHEMBL5961687 | 0.78 | ALDH1A1 (0.47) | ALDH1A1PPARGPPARDPPARAXDH | |
| SCHEMBL4451593 | 0.76 | XDH (0.48) | ALDH1A1PPARGPPARDPPARAXDH | |
| SCHEMBL12802037 | 0.74 | MAPK1 (0.40) | ALDH1A1PPARGPPARDPPARAXDH | |
| SCHEMBL1509672 | 0.74 | XDH (0.68) | ALDH1A1PPARGPPARDPPARAXDH | |
| SCHEMBL12802199 | 0.74 | MAPK1 (0.40) | ALDH1A1PPARGPPARDPPARAXDH |
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-2002079753-A2 | 2-AMINOBENZOXAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2002-10-10 | — | — | WO | disclosed |