Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.62 |
| ▸ | TP53 | P04637 | 2/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.62 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.62 |
| ▸ | PPARA | Q07869 | 3/20 | 0.61 |
| ▸ | PPARG | P37231 | 1/20 | 0.61 |
| ▸ | PPARD | Q03181 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 5/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL9721996 | 0.89 | ALDH1A1 (0.77) | ALDH1A1SMN1; SMN2CYP3A4TP53TSHR | |
| SCHEMBL8964769 | 0.88 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2CYP3A4TP53TSHR | |
| SCHEMBL8965493 | 0.87 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2CYP3A4TP53TSHR | |
| SCHEMBL21473690 | 0.85 | ALDH1A1 (0.71) | ALDH1A1SMN1; SMN2CYP3A4TP53TSHR | |
| SCHEMBL8964622 | 0.85 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2CYP3A4TP53TSHR | |
| SCHEMBL9615213 | 0.84 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2CYP3A4TP53TSHR | |
| SCHEMBL10731044 | 0.84 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2CYP3A4PPARAPPARG | |
| SCHEMBL874505 | 0.84 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2CYP3A4TP53TSHR | |
| SCHEMBL25386624 | 0.82 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2CYP3A4TP53TSHR | |
| SCHEMBL30574908 | 0.82 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2CYP3A4TP53TSHR |
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 |