Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.38 |
| ▸ | KIF11 | P52732 | 2/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.37 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19454508 | 0.85 | HSP90AA1 (0.44) | ERN1ALDH1A1HPGDSMN1; SMN2EPHX2 | |
| SCHEMBL20300458 | 0.82 | ERN1 (0.41) | ERN1ALDH1A1HPGDSMN1; SMN2EPHX2 | |
| SCHEMBL22491940 | 0.81 | MAOB (0.48) | ALDH1A1EPHX2NR1H4SRCMAOB | |
| SCHEMBL31387892 | 0.81 | MAOB (0.48) | ALDH1A1EPHX2NR1H4SRCMAOB | |
| SCHEMBL14156904 | 0.77 | DPP4 (0.48) | ALDH1A1HPGDSMN1; SMN2EPHX2NR1H4 | |
| SCHEMBL11810092 | 0.77 | NR1H4 (0.45) | EPHX2NR1H4SRCCYP26A1CYP26B1 | |
| SCHEMBL2653855 | 0.77 | CES2 (0.59) | ERN1ALDH1A1HPGDSMN1; SMN2SLC6A2 | |
| SCHEMBL23216021 | 0.75 | CA12 (0.51) | ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL29843822 | 0.75 | CA12 (0.51) | ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL12847383 | 0.75 | HSP90AA1 (0.47) | ERN1ALDH1A1HPGDSMN1; SMN2SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0106565-A1 | Leukotriene antagonists, their production, and compositions containing them | MERCK FROSST CANADA INC. (CA) | 1984-04-25 | — | — | EP | disclosed |