Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | PPARG | P37231 | 2/20 | 0.38 |
| ▸ | PPARD | Q03181 | 2/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 7/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 7/20 | 0.37 |
| ▸ | CNR2 | P34972 | 5/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | CNR1 | P21554 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7732384 | 0.80 | XDH (0.44) | ALDH1A1PPARGPPARDPPARAXDH | |
| SCHEMBL7732398 | 0.80 | ALDH1A1 (0.41) | ALDH1A1PPARGPPARDPPARAXDH | |
| SCHEMBL7732427 | 0.78 | ALDH1A1 (0.40) | ALDH1A1PPARGPPARDPPARAXDH | |
| SCHEMBL7740843 | 0.77 | XDH (0.42) | ALDH1A1PPARGPPARDPPARAXDH | |
| SCHEMBL7740836 | 0.77 | ALDH1A1 (0.39) | ALDH1A1PPARGPPARDPPARAXDH | |
| SCHEMBL7738419 | 0.75 | XDH (0.40) | ALDH1A1PPARGPPARDPPARAXDH | |
| SCHEMBL7732390 | 0.75 | PPARA (0.40) | ALDH1A1PPARGPPARDPPARAXDH | |
| SCHEMBL10917043 | 0.72 | ALDH1A1 (0.43) | ALDH1A1PPARGPPARDPPARAXDH | |
| SCHEMBL9364525 | 0.71 | NPSR1 (0.37) | ALDH1A1PPARGPPARDPPARAXDH | |
| SCHEMBL7197811 | 0.70 | ALDH1A1 (0.47) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6416861-B1 | COMBINATORIAL CHEMISTRY | NORTHWESTERN UNIVERSITY | 2002-07-09 | — | — | US | disclosed |
| WO-2000049022-A2 | ORGANOSILICON COMPOUNDS AND USES THEREOF | NORTHWESTERN UNIVERSITY (US) | 2000-08-24 | — | — | WO | disclosed |