Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | APP | P05067 | 7/20 | 0.44 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PPARD | Q03181 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8965493 | 0.84 | ALDH1A1 (0.57) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL8965477 | 0.83 | ALDH1A1 (0.58) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL8964647 | 0.82 | ALDH1A1 (0.66) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL28749040 | 0.81 | APP (0.47) | SMN1; SMN2APPMAOBNPC1RAB9A | |
| SCHEMBL9797652 | 0.80 | SMN1; SMN2 (0.79) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL8964626 | 0.77 | ALDH1A1 (0.62) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| Estragole SCHEMBL57204 | 0.76 | ALDH1A1 (1.00) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| Estragole SCHEMBL28095175 | 0.76 | ALDH1A1 (1.00) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| Estragole SCHEMBL900647 | 0.76 | ALDH1A1 (1.00) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL28567450 | 0.75 | ALDH1A1 (0.60) | ALDH1A1CYP3A4TP53ALOX15TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0410379-B1 | Pharmaceutically active 3-aryl and 3-heteroaryl-2-fluoro-1-olefins | MERRELL DOW PHARMA (US) | 1996-01-31 | — | — | EP | disclosed |
| US-5068465-A | Hypotensive agents or enzyme inhibitors for treatment of hypertension | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-11-26 | — | — | US | disclosed |
| EP-0410379-A2 | Pharmaceutically active 3-aryl and 3-heteroaryl-2-fluoro-1-olefins | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-01-30 | — | — | EP | disclosed |
| US-4981868-A | ENZYME INHIBITORS, HYPOTENSIVES | MERRELL DOW PHARMACEUTICAL (US) | 1991-01-01 | — | — | US | disclosed |