Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.32 |
| ▸ | MAPT | P10636 | 5/20 | 0.32 |
| ▸ | LMNA | P02545 | 4/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | PTGES | O14684 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5821476 | 0.89 | ALDH1A1 (0.43) | ESR1POLBALDH1A1MAPTLMNA | |
| SCHEMBL5821043 | 0.87 | ESR1 (0.35) | ESR1POLBALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL5817545 | 0.85 | TDP1 (0.36) | ESR1ALDH1A1MAPTSMN1; SMN2HTT | |
| SCHEMBL5819664 | 0.85 | PTGS2 (0.39) | ESR1ALDH1A1GAANPC1 | |
| SCHEMBL2949905 | 0.78 | KDM4E (0.41) | POLBALDH1A1MAPTLMNARXFP1 | |
| SCHEMBL5817609 | 0.77 | MAPK13 (0.39) | ESR1ALDH1A1LMNARXFP1MEN1 | |
| SCHEMBL5821416 | 0.77 | AOC3 (0.42) | ALDH1A1MAPTSMN1; SMN2HTTGAA | |
| SCHEMBL5821095 | 0.76 | CA9 (0.43) | ALDH1A1 | |
| SCHEMBL5820987 | 0.76 | ALDH1A1 (0.42) | ESR1POLBALDH1A1MAPTLMNA | |
| SCHEMBL5821767 | 0.74 | ESR1 (0.36) | ESR1ALDH1A1MAPTSMN1; SMN2GAA |
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-2006129181-A2 | PREPARATION OF 4-PYRIMIDONE DERIVATIVES FOR TREATING INFLAMMATORY DISEASES | ORCHID RESEARCH LABORATORIES LIMITED (IN) | 2006-12-07 | — | — | WO | claimed |