Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.79 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.79 |
| ▸ | TP53 | P04637 | 1/20 | 0.79 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.79 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.79 |
| ▸ | TSHR | P16473 | 1/20 | 0.79 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.79 |
| ▸ | APP | P05067 | 7/20 | 0.61 |
| ▸ | MAOB | P27338 | 1/20 | 0.59 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | AGXT | P21549 | 1/20 | 0.48 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Estragole SCHEMBL57204 | 0.89 | ALDH1A1 (1.00) | SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15 | |
| Estragole SCHEMBL900647 | 0.89 | ALDH1A1 (1.00) | SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15 | |
| SCHEMBL8964647 | 0.88 | ALDH1A1 (0.66) | SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15 | |
| Estragole SCHEMBL29777399 | 0.87 | ALDH1A1 (0.96) | SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15 | |
| SCHEMBL20000873 | 0.84 | APP (0.80) | SMN1; SMN2ALDH1A1APPMAOBNPC1 | |
| SCHEMBL28567450 | 0.84 | ALDH1A1 (0.60) | SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15 | |
| SCHEMBL8943028 | 0.84 | APP (0.59) | SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15 | |
| SCHEMBL30083980 | 0.84 | LMNA (0.58) | SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15 | |
| SCHEMBL933579 | 0.84 | APP (0.62) | SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15 | |
| SCHEMBL9737615 | 0.84 | APP (0.59) | SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15 |
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-0410380-A2 | Novel process for the synthesis of 2-fluoro-1-olefins | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-01-30 | — | — | EP | disclosed |