Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.67 |
| ▸ | PPARA | Q07869 | 2/20 | 0.67 |
| ▸ | PPARG | P37231 | 1/20 | 0.67 |
| ▸ | PPARD | Q03181 | 1/20 | 0.67 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.61 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.61 |
| ▸ | AR | P10275 | 1/20 | 0.61 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.61 |
| ▸ | GABRA1 | P14867 | 6/20 | 0.60 |
| ▸ | GABRB2 | P47870 | 6/20 | 0.60 |
| ▸ | CNR2 | P34972 | 2/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL4877224 | 0.87 | GABRA1 (0.60) | ALDH1A1PPARAPPARGPPARDALOX5 | |
| SCHEMBL5541239 | 0.83 | ALDH1A1 (0.49) | ALDH1A1PPARAPPARGPPARDALOX5 | |
| SCHEMBL1742531 | 0.82 | PDE4A (0.50) | ALDH1A1CYP3A4MAPTGAANPC1 | |
| Methyleugenol SCHEMBL9745056 | 0.81 | ALDH1A1 (0.86) | ALDH1A1PPARAPPARGPPARDALOX5 | |
| Methyleugenol SCHEMBL113794 | 0.80 | ALDH1A1 (1.00) | ALDH1A1PPARAPPARGPPARDALOX5 | |
| Methyleugenol SCHEMBL1869396 | 0.80 | ALDH1A1 (1.00) | ALDH1A1PPARAPPARGPPARDALOX5 | |
| Methyleugenol SCHEMBL29376951 | 0.80 | ALDH1A1 (1.00) | ALDH1A1PPARAPPARGPPARDALOX5 | |
| SCHEMBL19248503 | 0.80 | ALDH1A1 (0.46) | ALDH1A1PPARAPPARGPPARDALOX5 | |
| Chavibetol SCHEMBL901503 | 0.79 | ALOX5 (0.75) | ALDH1A1PPARAPPARGPPARDALOX5 | |
| Chavibetol SCHEMBL29752081 | 0.79 | ALOX5 (0.75) | ALDH1A1PPARAPPARGPPARDALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| US-5556820-A | REACTION PRODUCT OF MAGNESIUM, ALCOHOL AND HALOGEN, SOLID | IDEMITSU PETROCHEMICAL CO., LTD. (JP) | 1996-09-17 | — | — | US | disclosed |